3-(bromomethyl)-2-fluorophenylboronic acid

3-(bromomethyl)-2-fluorophenylboronic acid

CAS: 2663787-30-0

Formula: C7H7BBrFO2

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

IUPAC: [3-(bromomethyl)-2-fluorophenyl]boronic acid

InChI: InChI=1S/C7H7BBrFO2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,4H2

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	GVZLMMGAKCIJAG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.67
Topological Polar Surface Area	40.46
Polarizability	17.95
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	2663787-30-0		$51.35-$86.31$51.35$63.37$86.31