Name: 2-chloro-3-nitrobenzonitrile
SMILES:
N#Cc1cccc([N+](=O)[O-])c1ClMolecular Processing
Molecular formula
C7H3ClN2O2
Molecular weight
182.57
Exact mass
181.9883
XLogP
2.12
TPSA
66.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.82
Supplementary Information
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