Name: 1-(5-bromo-3-chloro-pyridin-2-yl)-cyclopropanecarbonitrile
SMILES:
N#CC1(c2ncc(Br)cc2Cl)CC1Molecular Processing
Molecular formula
C9H6BrClN2
Molecular weight
257.52
Exact mass
255.9403
XLogP
3.05
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
53.47
Supplementary Information
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