2-Bromo-4-fluorobenzoic acid

C₇H₄BrFO₂CAS 1006-41-3219.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄BrFO₂
Molar mass: 219.01 g/mol
Exact mass: 217.9379 Da
Melting point: 171–172.5 °C
logP: 2.29Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

1006-41-3

SMILES

O=C(O)c1ccc(F)cc1Br

InChIKey

RRKPMLZRLKTDQV-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzoic acid, 2-bromo-4-fluoro-
4-Fluoro-2-bromobenzoic acid

Work with 2-Bromo-4-fluorobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Difluorobenzoic acid1583-58-064 % similar Bromoterephthalic acid586-35-664 % similar 2,4-Dibromobenzoic acid611-00-764 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-962 % similar 2-Amino-4-fluorobenzoic acid446-32-262 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-960 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-360 % similar 2-Chloro-4-fluorobenzoic acid2252-51-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromo-4-fluorobenzoic acid1007-16-5 4-Bromo-2-fluorobenzoic acid112704-79-7 2-Bromo-3-fluorobenzoic acid132715-69-6 5-Bromo-2-fluorobenzoic acid146328-85-0 4-Bromo-3-fluorobenzoic acid153556-42-4 3-Bromo-2-fluorobenzoic acid161957-56-8 2-Bromo-5-fluorobenzoic acid394-28-5

Elsewhere

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