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4-CHLORO-2-METHYL-8-(TRIFLUOROMETHYL)QUINOLINE
4-CHLORO-2-METHYL-8-(TRIFLUOROMETHYL)QUINOLINE
ID: BP-11163
CAS:140908-89-0
Supplier:BroadPharm

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SMILES:c12c(C(F)(F)F)cccc1c(cc(n2)C)Cl	
FORMULA: C11H7ClF3N
MASS: 245.6282
EXACT MASS: 245.0219116
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4388     0.0000 
   C   3    2.4725     1.4208     0.0000 
   C   4    1.4250     2.4762     3.7715     0.0000 
   N   5    1.4388     2.5000     2.8755     2.4762     0.0000 
   C   6    2.4762     3.7911     4.9487     1.4388     2.8500     0.0000 
   C   7    2.8776     4.3164     5.1695     2.5000     2.4762     1.4388 
   C   8    2.5000     3.8171     4.3143     2.8776     1.4388     2.4762 
   F   9    3.7558     2.4420     1.4068     4.9181     4.2823     6.2050 
   F  10    2.2378     2.1449     1.5275     3.6562     1.7960     4.4660 
   F  11    3.1652     2.5944     1.3547     4.5842     2.9122     5.5203 
  Cl  12    3.7676     4.9452     6.2127     2.4690     4.2667     1.4167 
   C  13    2.5000     1.4388     2.4725     2.8776     3.8171     4.3164 
   C  14    2.4762     2.8500     4.2708     1.4388     3.7911     2.5000 
   C  15    2.8776     2.4762     3.7715     2.5000     4.3164     3.8171 
   C  16    3.8171     5.0000     5.1979     4.3164     2.5000     3.7911 

              C   7      C   8      F   9      F  10      F  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4250     0.0000 
   F   9    6.5432     5.7211     0.0000 
   F  10    4.2711     3.1437     2.8156     0.0000 
   F  11    5.3865     4.2448     2.1491     1.1164     0.0000 
  Cl  12    2.4690     3.7676     7.3871     5.8567     6.8884     0.0000 
   C  13    5.1991     5.0000     2.8251     3.5542     3.8103     5.1667 
   C  14    3.8171     4.3164     5.1115     4.6174     5.3594     2.8735 
   C  15    5.0000     5.1991     4.2501     4.5818     5.0512     4.3123 
   C  16    2.4762     1.4388     6.5737     3.7882     4.7677     4.9452 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    2.4762     0.0000 
   C  15    1.4250     1.4388     0.0000 
   C  16    6.2905     5.7552     6.6054     0.0000 



ATOMIC CHARGES
   C   1    0.0855702632
   C   2    0.0890176889
   C   3    0.4199713264
   C   4    0.0282027003
   N   5   -0.2496535719
   C   6    0.0602605526
   C   7    0.0261352855
   C   8    0.0601695821
   F   9   -0.1658005069
   F  10   -0.1658005069
   F  11   -0.1658005069
  Cl  12   -0.0821557030
   C  13    0.0053728891
   C  14    0.0023259486
   C  15    0.0000679045
   C  16    0.0521166544


BOND ANGLES
   2    1    4  Car  Car  Car    119.683
   2    1    5  Car  Car  Nar    120.634
   4    1    5  Car  Car  Nar    119.683
   1    2    3  Car  Car   C3    119.683
   1    2   13  Car  Car  Car    120.634
   3    2   13   C3  Car  Car    119.683
   2    3    9  Car   C3    F    119.451
   2    3   10  Car   C3    F     93.284
   2    3   11  Car   C3    F    138.366
   9    3   10    F   C3    F    147.265
   9    3   11    F   C3    F    102.182
  10    3   11    F   C3    F     45.083
   1    4    6  Car  Car  Car    119.683
   1    4   14  Car  Car  Car    119.683
   6    4   14  Car  Car  Car    120.634
   1    5    8  Car  Nar  Car    120.634
   4    6   12  Car  Car   Cl    119.683
   4    6    7  Car  Car  Car    120.634
   7    6   12  Car  Car   Cl    119.683
   6    7    8  Car  Car  Car    119.683
   5    8    7  Nar  Car  Car    119.683
   7    8   16  Car  Car   C3    119.683
   5    8   16  Nar  Car   C3    120.634
   2   13   15  Car  Car  Car    119.683
   4   14   15  Car  Car  Car    120.634
  13   15   14  Car  Car  Car    119.683


TORSION ANGLES
   3    2    1    4    179.974
   3    2    1    5      0.026
  13    2    1    4      0.026
  13    2    1    5    179.974
   9    3    2    1    179.974
   9    3    2   13      0.026
  10    3    2    1      0.026
  10    3    2   13    179.974
  11    3    2    1      0.026
  11    3    2   13    179.974
   6    4    1    2    179.974
   6    4    1    5      0.026
  14    4    1    2      0.026
  14    4    1    5    179.974
   8    5    1    2    179.974
   8    5    1    4      0.026
  12    6    4    1    179.974
  12    6    4   14      0.026
   7    6    4    1      0.026
   7    6    4   14    179.974
   6    7    8    5      0.026
   6    7    8   16    179.974
   7    8    5    1      0.026
  16    8    5    1    179.974
  15   13    2    1      0.026
  15   13    2    3    179.974
  15   14    4    1      0.026
  15   14    4    6    179.974
  13   15   14    4      0.026
   8    7    6    4      0.026
   8    7    6   12    179.974
  14   15   13    2      0.026