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4-benzoylphenylboronic acid

4-benzoylphenylboronic acid

CAS: 268218-94-6

Formula: C13H11BO3

SMILES: OB(O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1

IUPAC: (4-benzoylphenyl)boronic acid

InChI: InChI=1S/C13H11BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,16-17H

Composition: C (69.08%), H (4.91%), B (4.78%), O (21.23%)

Molar Mass: 226.04

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 226.080124
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CWMIVCCXDVRXST-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.18
Topological Polar Surface Area 57.53
Polarizability 25.19
Ring Count 2
Rotatable Bond Count 3

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