5-bromo-2,4-difluorophenylboronic acid

5-bromo-2,4-difluorophenylboronic acid

CAS: 2096331-76-7

Formula: C6H4BBrF2O2

SMILES: OB(O)C1=CC(Br)=C(F)C=C1F

IUPAC: (5-bromo-2,4-difluorophenyl)boronic acid

InChI: InChI=1S/C6H4BBrF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,11-12H

Composition: C (30.43%), H (1.70%), B (4.56%), Br (33.74%), F (16.05%), O (13.51%)

Molar Mass: 236.81

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.945579
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	SZHYLLMQYYMZFL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.66
Topological Polar Surface Area	40.46
Polarizability	16.18
Ring Count	1
Rotatable Bond Count	1

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