2-bromo-4-fluorophenylboronic acid

2-bromo-4-fluorophenylboronic acid

CAS: 1217501-12-6

Formula: C6H5BBrFO2

SMILES: OB(O)C1=CC=C(F)C=C1Br

IUPAC: (2-bromo-4-fluorophenyl)boronic acid

InChI: InChI=1S/C6H5BBrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H

Composition: C (32.93%), H (2.30%), B (4.94%), Br (36.52%), F (8.68%), O (14.62%)

Molar Mass: 218.82

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.955001
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BHXVZYJULSWULU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.44
Topological Polar Surface Area	40.46
Polarizability	16.25
Ring Count	1
Rotatable Bond Count	1

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