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Ethofenprox
Ethofenprox ID: AC-12690
CAS:80844-07-1
Supplier:Hangzhou APIChem Technology Co., Limited

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SMILES:C(c1ccc(cc1)OCC)(COCc1cc(Oc2ccccc2)ccc1)(C)C	
FORMULA: C25H28O3
MASS: 376.4880
EXACT MASS: 376.2038448
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   O   3    4.6226     5.4448     0.0000 
   C   4    3.8875     4.7125     0.8248     0.0000 
   C   5    1.4218     0.8125     5.9467     5.1732     0.0000 
   C   6    1.4280     0.8233     5.8494     5.1737     1.4125     0.0000 
   C   7    3.2058     4.0254     1.4250     0.8176     4.5547     4.4269 
   C   8    2.4583     1.6333     7.0738     6.3458     1.4135     1.4073 
   O   9    1.4271     2.1784     3.3894     2.7543     2.8487     2.4667 
   C  10    2.1703     1.4171     6.6610     5.9796     1.6295     0.8125 
   C  11    2.1741     1.4181     6.7547     5.9874     0.8208     1.6337 
   C  12    5.3167     6.1417     0.8233     1.4292     6.5915     6.5928 
   C  13    2.4667     3.2917     2.1761     1.4208     3.7705     3.7713 
   C  14    0.8250     1.6500     3.8016     3.0625     2.1781     2.1821 
   O  15    3.2833     2.4583     7.8976     7.1708     2.1663     2.1622 
   C  16    3.3984     4.1779     2.1852     1.4321     4.4364     4.8149 
   C  17    0.8250     1.1609     4.7756     3.9831     1.2355     1.9685 
   C  18    0.8250     1.1609     4.6309     3.9813     1.9587     1.2343 
   C  19    2.1784     2.9691     2.5691     1.9699     3.5869     3.2917 
   C  20    3.9741     4.7842     1.4301     0.8292     5.1265     5.3507 
   C  21    2.5931     3.3864     2.4673     1.6424     3.7017     4.0020 
   C  22    3.7662     2.9609     8.3059     7.6175     2.8415     2.4583 
   C  23    5.3762     6.1927     1.4259     1.6487     6.5512     6.7280 
   C  24    6.0391     6.8624     1.4208     2.1761     7.3472     7.2687 
   C  25    3.5842     2.8477     7.9538     7.3126     2.9588     2.1705 
   C  26    6.7375     7.5625     2.1720     2.8500     8.0060     8.0064 
   C  27    6.1508     6.9609     2.1774     2.4720     7.2824     7.5197 
   C  28    6.7920     7.6115     2.4699     2.9722     7.9802     8.1260 

              C   7      C   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    5.6517     0.0000 
   O   9    1.9749     3.7557     0.0000 
   C  10    5.2378     0.8104     3.2792     0.0000 
   C  11    5.3543     0.8171     3.5831     1.4125     0.0000 
   C  12    2.1769     7.7750     4.1513     7.4011     7.4081     0.0000 
   C  13    0.8212     4.9250     1.4321     4.5719     4.5795     2.8500 
   C  14    2.3901     3.2833     0.8301     2.9620     2.9671     4.4917 
   O  15    6.4749     0.8250     4.5684     1.4181     1.4171     8.6000 
   C  16    1.6458     5.7613     2.7548     5.5678     5.2521     2.4786 
   C  17    3.4193     2.5892     1.9834     2.5559     2.0538     5.3885 
   C  18    3.2141     2.5812     1.2415     2.0448     2.5550     5.3885 
   C  19    1.1676     4.5684     0.8250     4.1042     4.3524     3.3421 
   C  20    1.4259     6.4008     3.0772     6.1333     5.9471     1.6502 
   C  21    1.4193     4.9895     1.9710     4.7632     4.5222     2.9676 
   C  22    6.8821     1.4280     4.9250     1.6458     2.1707     9.0416 
   C  23    2.4662     7.8158     4.3676     7.5213     7.3719     0.8250 
   C  24    2.8458     8.4927     4.8060     8.0806     8.1595     0.8197 
   C  25    6.5433     1.6466     4.5684     1.4306     2.4636     8.7193 
   C  26    3.5816     9.1958     5.5553     8.8160     8.8239     1.4208 
   C  27    3.2895     8.5749     5.1818     8.3071     8.1012     1.4259 
   C  28    3.7713     9.2380     5.7263     8.9251     8.8009     1.6466 

              C  13      C  14      O  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.6417     0.0000 
   O  15    5.7500     4.1083     0.0000 
   C  16    1.4218     2.6466     6.5692     0.0000 
   C  17    2.6102     1.1726     3.3804     3.2011     0.0000 
   C  18    2.6076     1.1726     3.3743     3.7838     1.6500     0.0000 
   C  19    0.8305     1.4271     5.3848     2.2522     2.5800     2.0649 
   C  20    1.6451     3.1717     7.2195     0.8284     3.8958     4.2308 
   C  21    0.8167     1.8280     5.8047     0.8203     2.4708     2.9642 
   C  22    6.2045     4.5786     0.8233     7.1364     4.0000     3.6889 
   C  23    2.9641     4.5627     8.6365     2.1843     5.3208     5.5708 
   C  24    3.5816     5.2163     9.3169     3.2983     6.1589     6.0474 
   C  25    5.9259     4.3525     1.4250     6.9811     3.9805     3.3318 
   C  26    4.2708     5.9125    10.0208     3.7792     6.7966     6.7956 
   C  27    3.7687     5.3452     9.3919     2.8583     6.0474     6.3761 
   C  28    4.3547     5.9739    10.0599     3.5982     6.7500     6.9487 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.4007     0.0000 
   C  21    1.5908     1.4251     0.0000 
   C  22    5.7500     7.7401     6.3473     0.0000 
   C  23    3.6082     1.4250     2.8500     9.1407     0.0000 
   C  24    3.9831     2.4699     3.7672     9.7258     1.4280     0.0000 
   C  25    5.3848     7.5193     6.1706     0.8233     8.8886     9.3646 
   C  26    4.7384     2.9682     4.3523    10.4582     1.6487     0.8212 
   C  27    4.4293     2.1769     3.5878     9.9169     0.8233     1.6500 
   C  28    4.9371     2.8542     4.2792    10.5520     1.4292     1.4301 

              C  25      C  26      C  27      C  28
              --------------------------------------------
   C  25    0.0000 
   C  26   10.1228     0.0000 
   C  27    9.6850     1.4316     0.0000 
   C  28   10.2771     0.8292     0.8269     0.0000 



ATOMIC CHARGES
   C   1    0.0462927511
   C   2   -0.0202445803
   O   3   -0.4535059634
   C   4    0.1450606171
   C   5   -0.0010958922
   C   6   -0.0010958922
   C   7    0.0356434632
   C   8    0.1385301025
   O   9   -0.3486719858
   C  10    0.0365760643
   C  11    0.0365760643
   C  12    0.1452975724
   C  13    0.0102963498
   C  14    0.1464914481
   O  15   -0.4754618583
   C  16    0.0028866937
   C  17    0.0068828087
   C  18    0.0068828087
   C  19    0.1686961755
   C  20    0.0374740674
   C  21   -0.0016513334
   C  22    0.2055253782
   C  23    0.0374925246
   C  24    0.0374925246
   C  25    0.0511645675
   C  26    0.0031317342
   C  27    0.0031317342
   C  28    0.0002020558


BOND ANGLES
   2    1   14  Car   C3   C3    179.974
   2    1   17  Car   C3   C3     89.424
   2    1   18  Car   C3   C3     89.424
  14    1   17   C3   C3   C3     90.576
  14    1   18   C3   C3   C3     90.576
  17    1   18   C3   C3   C3    178.847
   1    2    5   C3  Car  Car    120.510
   1    2    6   C3  Car  Car    120.069
   5    2    6  Car  Car  Car    119.421
   4    3   12  Car   O3  Car    120.261
   3    4    7   O3  Car  Car    120.369
   3    4   20   O3  Car  Car    119.670
   7    4   20  Car  Car  Car    119.961
   2    5   11  Car  Car  Car    120.510
   2    6   10  Car  Car  Car    120.069
   4    7   13  Car  Car  Car    120.224
  10    8   15  Car  Car   O3    120.254
  10    8   11  Car  Car  Car    120.436
  11    8   15  Car  Car   O3    119.310
  14    9   19   C3   O3   C3    119.140
   6   10    8  Car  Car  Car    120.254
   5   11    8  Car  Car  Car    119.310
   3   12   23   O3  Car  Car    119.777
   3   12   24   O3  Car  Car    119.716
  23   12   24  Car  Car  Car    120.507
   7   13   19  Car  Car   C3     89.967
   7   13   21  Car  Car  Car    120.110
  19   13   21   C3  Car  Car    149.924
   1   14    9   C3   C3   O3    119.140
   8   15   22  Car   O3   C3    120.069
  20   16   21  Car  Car  Car    119.610
   9   19   13   O3   C3  Car    119.782
   4   20   16  Car  Car  Car    119.530
  13   21   16  Car  Car  Car    120.566
  15   22   25   O3   C3   C3    119.863
  12   23   27  Car  Car  Car    119.777
  12   24   26  Car  Car  Car    119.969
  24   26   28  Car  Car  Car    120.105
  23   27   28  Car  Car  Car    120.009
  26   28   27  Car  Car  Car    119.633


TORSION ANGLES
   5    2    1   14    180.000
   5    2    1   17      0.026
   5    2    1   18    179.974
   6    2    1   14    180.000
   6    2    1   17    179.974
   6    2    1   18      0.026
  12    3    4    7    179.974
  12    3    4   20      0.026
   3    4    7   13    179.974
  20    4    7   13      0.026
  11    5    2    1    179.974
  11    5    2    6      0.026
  10    6    2    1    179.974
  10    6    2    5      0.026
   4    7   13   19    179.974
   4    7   13   21      0.026
  15    8   10    6    179.974
  11    8   10    6      0.026
  19    9   14    1    179.974
   8   10    6    2      0.026
   8   11    5    2      0.026
  23   12    3    4      0.026
  24   12    3    4    179.974
   7   13   19    9    179.974
  21   13   19    9      0.026
   9   14    1    2    180.000
   9   14    1   17    179.974
   9   14    1   18      0.026
  22   15    8   10      0.026
  22   15    8   11    179.974
  20   16   21   13      0.026
  13   19    9   14      0.026
   4   20   16   21      0.026
  16   21   13    7      0.026
  16   21   13   19    179.974
  25   22   15    8      0.026
  27   23   12    3    179.974
  27   23   12   24      0.026
  26   24   12    3    179.974
  26   24   12   23      0.026
  28   26   24   12      0.026
  28   27   23   12      0.026
  27   28   26   24      0.026
  10    8   11    5      0.026
  15    8   11    5    179.974
  16   20    4    3    179.974
  16   20    4    7      0.026
  23   27   28   26      0.026