4-bromo-3-fluorobenzoic acid

4-bromo-3-fluorobenzoic acid

CAS: 153556-42-4

Formula: C7H4BrFO2

SMILES: OC(=O)C1=CC(F)=C(Br)C=C1

IUPAC: 4-bromo-3-fluorobenzoic acid

InChI: InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

Composition: C (38.39%), H (1.84%), Br (36.48%), F (8.67%), O (14.61%)

Molar Mass: 219.009

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.937871
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RMYOGXPGIDWJLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.15
Topological Polar Surface Area	37.3
Polarizability	15.5
Ring Count	1
Rotatable Bond Count	1

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99%	<10 Days	153556-42-4		Quote Only