3-bromophenylboronic acid

3-bromophenylboronic acid

CAS: 89598-96-9

Formula: C6H6BBrO2

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

IUPAC: (3-bromophenyl)boronic acid

InChI: InChI=1S/C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H

Composition: C (35.88%), H (3.01%), B (5.38%), Br (39.79%), O (15.93%)

Molar Mass: 200.83

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.964422
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	AFSSVCNPDKKSRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.23
Topological Polar Surface Area	40.46
Polarizability	16.38
Ring Count	1
Rotatable Bond Count	1

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