Sign In Join Free

Products Information

5-FLUORO-2-METHOXYPHENOL
5-FLUORO-2-METHOXYPHENOL
ID: BP-11124
CAS:72955-97-6
Supplier:BroadPharm

Get a quote


SMILES:c1(cc(ccc1OC)F)O	
FORMULA: C7H7FO2
MASS: 142.1277
EXACT MASS: 142.0430077
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4364     0.0000 
   C   3    1.4364     2.4750     0.0000 
   C   4    2.4915     2.8601     1.4333     0.0000 
   C   5    2.4915     1.4333     2.8601     2.4750     0.0000 
   O   6    1.4333     2.4915     2.4915     3.8028     3.8028     0.0000 
   C   7    2.8917     2.4915     2.4915     1.4364     1.4364     4.3250 
   F   8    3.7806     2.4612     4.2813     3.7805     1.4214     4.9527 
   O   9    2.4836     3.7845     1.4249     2.4633     4.2849     2.8862 
   C  10    3.7998     4.9625     2.4876     2.8606     5.1596     4.3177 

              C   7      F   8      O   9      C  10
              --------------------------------------------
   C   7    0.0000 
   F   8    2.4795     0.0000 
   O   9    3.7833     5.7062     0.0000 
   C  10    4.2968     6.5513     1.4316     0.0000 



ATOMIC CHARGES
   C   1    0.2315201206
   C   2    0.0748128091
   C   3    0.1775143468
   C   4    0.0425271965
   C   5    0.1435407309
   O   6   -0.2832454782
   C   7    0.0329634665
   F   8   -0.2040614515
   O   9   -0.4681956776
   C  10    0.2526239369


BOND ANGLES
   2    1    3  Car  Car  Car    118.982
   2    1    6  Car  Car   O3    120.509
   3    1    6  Car  Car   O3    120.509
   1    2    5  Car  Car  Car    120.509
   1    3    4  Car  Car  Car    120.509
   1    3    9  Car  Car   O3    120.451
   4    3    9  Car  Car   O3    119.040
   3    4    7  Car  Car  Car    120.509
   2    5    8  Car  Car    F    119.120
   2    5    7  Car  Car  Car    120.509
   7    5    8  Car  Car    F    120.371
   4    7    5  Car  Car  Car    118.982
   3    9   10  Car   O3   C3    121.112


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    6    179.974
   4    3    1    2      0.026
   4    3    1    6    179.974
   9    3    1    2    179.974
   9    3    1    6      0.026
   7    4    3    1      0.026
   7    4    3    9    179.974
   8    5    2    1    179.974
   7    5    2    1      0.026
   5    7    4    3      0.026
  10    9    3    1    179.974
  10    9    3    4      0.026
   4    7    5    2      0.026
   4    7    5    8    179.974