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2-chloro-[1,1'-biphenyl]-4-ylboronic acid

2-chloro-[1,1'-biphenyl]-4-ylboronic acid

Formula: C12H10BClO2

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

IUPAC: {2-chloro-[1,1'-biphenyl]-4-yl}boronic acid

InChI: InChI=1S/C12H10BClO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h1-8,15-16H

Composition: C (62.00%), H (4.34%), B (4.65%), Cl (15.25%), O (13.76%)

Molar Mass: 232.47

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 232.046237
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey YJSVAFMGMDUPBB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.54
Topological Polar Surface Area 40.46
Polarizability 26.37
Ring Count 2
Rotatable Bond Count 2

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