3-bromo-4-chlorophenylboronic acid

3-bromo-4-chlorophenylboronic acid

CAS: 1384956-55-1

Formula: C6H5BBrClO2

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

IUPAC: (3-bromo-4-chlorophenyl)boronic acid

InChI: InChI=1S/C6H5BBrClO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H

Composition: C (30.63%), H (2.14%), B (4.59%), Br (33.96%), Cl (15.07%), O (13.60%)

Molar Mass: 235.27

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.92545
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XUOMDGCMBBIIOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.03
Topological Polar Surface Area	40.46
Polarizability	18.38
Ring Count	1
Rotatable Bond Count	1

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