Sign In Join Free

Products Information

4-Chloro-2-methylaniline
4-Chloro-2-methylaniline 
ID: BP-11292
CAS:95-69-2
Supplier:BroadPharm

Get a quote


SMILES:c1(c(ccc(c1)Cl)N)C	
FORMULA: C7H8ClN
MASS: 141.5981
EXACT MASS: 141.0345269
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    1.2543     2.1676     0.0000 
   C   4    2.1676     1.2543     2.5000     0.0000 
   C   5    2.1667     2.5014     1.2471     2.1634     0.0000 
   N   6    2.1613     1.2435     3.3055     2.1625     3.7449     0.0000 
   C   7    2.5014     2.1667     2.1634     1.2471     1.2500     3.3014 
  Cl   8    3.3096     3.7521     2.1625     3.3055     1.2507     4.9956 
   C   9    1.2435     2.1613     2.1625     3.3055     3.3014     2.5000 

              C   7     Cl   8      C   9
              ---------------------------------
   C   7    0.0000 
  Cl   8    2.1654     0.0000 
   C   9    3.7449     4.3250     0.0000 



ATOMIC CHARGES
   C   1   -0.0042621387
   C   2    0.0851643039
   C   3    0.0084703402
   C   4    0.0185995705
   C   5    0.0574431544
   N   6   -0.1283866353
   C   7    0.0127570866
  Cl   8   -0.0822535871
   C   9    0.0324679055


BOND ANGLES
   2    1    3  Car  Car  Car    119.887
   2    1    9  Car  Car   C3    120.174
   3    1    9  Car  Car   C3    119.940
   1    2    4  Car  Car  Car    119.887
   1    2    6  Car  Car  Npl    120.174
   4    2    6  Car  Car  Npl    119.940
   1    3    5  Car  Car  Car    120.037
   2    4    7  Car  Car  Car    120.037
   3    5    7  Car  Car  Car    120.077
   3    5    8  Car  Car   Cl    119.941
   7    5    8  Car  Car   Cl    119.982
   4    7    5  Car  Car  Car    120.077


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