الاسم: (2-amino-5-chloro-3-methoxyphenyl)acetonitrile
SMILES:
COc1cc(Cl)cc(CC#N)c1NMolecular Processing
Molecular formula
C9H9ClN2O
Molecular weight
196.64
Exact mass
196.0403
XLogP
2
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
51.73
Supplementary Information
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