3-bromo-2-fluoro-6-methylphenylboronic acid

3-bromo-2-fluoro-6-methylphenylboronic acid

Formula: C7H7BBrFO2

SMILES: CC1=C(B(O)O)C(F)=C(Br)C=C1

IUPAC: (3-bromo-2-fluoro-6-methylphenyl)boronic acid

InChI: InChI=1S/C7H7BBrFO2/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3,11-12H,1H3

Composition: C (36.11%), H (3.03%), B (4.64%), Br (34.32%), F (8.16%), O (13.74%)

Molar Mass: 232.84

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.970651
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	FXPYHAXAVPHRAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.48
Topological Polar Surface Area	40.46
Polarizability	17.98
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H7BBrFO2		Quote Only