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Structure

4-Cyano-2-methylphenylboronic acid

CAS
313546-18-8
Catalog Number
ACM313546188
Category
Boronic Acids
Molecular Weight
160.97g/mol
Molecular Formula
C8H8BNO2

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Specification

IUPAC Name
(4-cyano-2-methylphenyl)boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)C#N)C)(O)O
InChI
InChI=1S/C8H8BNO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4,11-12H,1H3
InChI Key
RGCVYEOTYJCNOS-UHFFFAOYSA-N
Complexity
199
Covalently-Bonded Unit Count
1
Exact Mass
161.064809g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
12
Monoisotopic Mass
161.064809g/mol
Rotatable Bond Count
1
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