5-(bromomethyl)-2-fluorobenzoic acid

5-(bromomethyl)-2-fluorobenzoic acid

CAS: 773100-76-8

Formula: C8H6BrFO2

SMILES: OC(=O)C1=CC(CBr)=CC=C1F

IUPAC: 5-(bromomethyl)-2-fluorobenzoic acid

InChI: InChI=1S/C8H6BrFO2/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,4H2,(H,11,12)

Composition: C (41.23%), H (2.60%), Br (34.29%), F (8.15%), O (13.73%)

Molar Mass: 233.036

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.953521
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VSGODVJOLOLNMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.38
Topological Polar Surface Area	37.3
Polarizability	17.19
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	773100-76-8		$41.40-$792.81$41.40$80.73$207.00$664.47$792.81