Name: (5-bromo-3-chloro-pyridin-2-yl)-acetonitrile
SMILES:
N#CCc1ncc(Br)cc1ClMolecular Processing
Molecular formula
C7H4BrClN2
Molecular weight
231.48
Exact mass
229.9246
XLogP
2.56
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
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
0.143
Molar refractivity
46.26
Supplementary Information
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