Name: 5-chloro-2-cyanophenylboronic acid
SMILES:
N#Cc1ccc(Cl)cc1B(O)OMolecular Processing
Molecular formula
C7H5BClNO2
Molecular weight
181.39
Exact mass
181.0102
XLogP
-0.11
TPSA
64.25
H-bond donors
2
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.99
Supplementary Information
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