Sign In Join Free

Products Information

1-Chloro-4-cyclopropylbenzene
1-Chloro-4-cyclopropylbenzene ID: 6766
CAS:1798-84-1
Supplier:SYNCHEM OHG

Get a quote


SMILES:c1c(ccc(c1)C1CC1)Cl	
FORMULA: C9H9Cl
MASS: 152.6208
EXACT MASS: 152.0392780
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8273     0.0000 
   C   3    1.4308     0.8255     0.0000 
   C   4    1.6520     1.4313     0.8272     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8306     0.0000 
   C   6    0.8228     1.4305     1.6530     1.4328     0.8241     0.0000 
  Cl   7    1.4313     0.8250     1.4296     2.1854     2.4776     2.1836 
   C   8    2.1807     2.4775     2.1880     1.4339     0.8250     1.4283 
   C   9    2.9934     3.2165     2.7961     1.9764     1.5919     2.2520 
   C  10    2.7889     3.2159     2.9995     2.2562     1.5911     1.9728 

             Cl   7      C   8      C   9      C  10
              --------------------------------------------
  Cl   7    0.0000 
   C   8    3.3026     0.0000 
   C   9    4.0364     0.8237     0.0000 
   C  10    4.0352     0.8223     0.8250     0.0000 



ATOMIC CHARGES
   C   1    0.0110713995
   C   2    0.0576517661
   C   3    0.0110713995
   C   4   -0.0034111828
   C   5   -0.0224508128
   C   6   -0.0034111828
  Cl   7   -0.0822447092
   C   8    0.0223533936
   C   9    0.0046849645
   C  10    0.0046849645


BOND ANGLES
   7    2    3   Cl  Car  Car    120.029
   2    3    4  Car  Car  Car    120.010
   8    5    6   C3  Car  Car    120.020
   5    6    1  Car  Car  Car    120.126
   3    2    7  Car  Car   Cl    120.029
   6    5    8  Car  Car   C3    120.020
   5    8   10  Car   C3   C3    150.006


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


CHIRAL ATOMS
   C     8 is chiral: counterclockwise