이름: (3-chloro-4-methoxy-phenyl)-acetonitrile
SMILES:
COc1ccc(CC#N)cc1ClMolecular Processing
Molecular formula
C9H8ClNO
Molecular weight
181.62
Exact mass
181.0294
XLogP
2.41
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
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
0.222
Molar refractivity
47.32
Supplementary Information
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