Nombre: 4-bromomethyl-3-chlorobenzonitrile
SMILES:
N#Cc1ccc(CBr)c(Cl)c1Molecular Processing
Molecular formula
C8H5BrClN
Molecular weight
230.49
Exact mass
228.9294
XLogP
3.11
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
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
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
48.8
Supplementary Information
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