名称: (3-amino-2,6-dichloro-phenyl)-acetonitrile
SMILES:
N#CCc1c(Cl)ccc(N)c1ClMolecular Processing
Molecular formula
C8H6Cl2N2
Molecular weight
201.06
Exact mass
199.9908
XLogP
2.64
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.19
Supplementary Information
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