名称: 4-amino-2-chloro-3-methylbenzonitrile
SMILES:
Cc1c(N)ccc(C#N)c1ClMolecular Processing
Molecular formula
C8H7ClN2
Molecular weight
166.61
Exact mass
166.0298
XLogP
2.1
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.32
Supplementary Information
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