Sign In Join Free

Products Information

3-(aminomethyl)-2-fluorophenol
3-(aminomethyl)-2-fluorophenol
ID: Cs00298
CAS:1061652-46-7
Supplier:Clousem

Get a quote


SMILES:c1ccc(c(c1O)F)CN	
FORMULA: C7H8FNO
MASS: 141.1429
EXACT MASS: 141.0589921
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   O   7    2.6379     4.0295     4.5690     4.0295     2.6379     1.5230 
   F   8    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   C   9    4.5690     4.0295     2.6380     1.5230     2.6379     4.0295 
   N  10    5.4912     5.2758     4.0295     2.6379     3.0460     4.5690 

              O   7      F   8      C   9      N  10
              --------------------------------------------
   O   7    0.0000 
   F   8    3.0461     0.0000 
   C   9    5.2759     3.0460     0.0000 
   N  10    5.4913     2.6379     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0443731463
   C   2    0.0031517776
   C   3   -0.0003844228
   C   4    0.0275138345
   C   5    0.1761839480
   C   6    0.2226106994
   O   7   -0.2841738630
   F   8   -0.2010819555
   C   9    0.1379448303
   N  10   -0.1261379948


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    119.999
   3    4    9  Car  Car   C3    120.002
   5    4    9  Car  Car   C3    119.999
   4    5    6  Car  Car  Car    119.999
   4    5    8  Car  Car    F    119.999
   6    5    8  Car  Car    F    120.002
   1    6    5  Car  Car  Car    120.000
   5    6    7  Car  Car   O3    119.999
   1    6    7  Car  Car   O3    120.001
   4    9   10  Car   C3   N3    120.000


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