3',4'-dichloro-[1,1'-biphenyl]-4-ylboronic acid

3',4'-dichloro-[1,1'-biphenyl]-4-ylboronic acid

CAS: 1025736-43-9

Formula: C12H9BCl2O2

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

IUPAC: {3',4'-dichloro-[1,1'-biphenyl]-4-yl}boronic acid

InChI: InChI=1S/C12H9BCl2O2/c14-11-6-3-9(7-12(11)15)8-1-4-10(5-2-8)13(16)17/h1-7,16-17H

Composition: C (54.00%), H (3.40%), B (4.05%), Cl (26.56%), O (11.99%)

Molar Mass: 266.91

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.007265
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HKWYWWYEYYTNGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.35
Topological Polar Surface Area	40.46
Polarizability	28.23
Ring Count	2
Rotatable Bond Count	2

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