5-Bromo-2-fluorobenzoic acid

C₇H₄BrFO₂CAS 146328-85-0219.01 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
logP: 2.29Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

146328-85-0

SMILES

O=C(O)c1cc(Br)ccc1F

InChIKey

PEXAZYDITWXYNJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)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, 5-bromo-2-fluoro-
2-Fluoro-5-bromobenzoic acid

Work with 5-Bromo-2-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

4-Bromophthalic acid6968-28-168 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-167 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 2,5-Dibromobenzoic acid610-71-964 % similar 5-Bromosalicylic acid89-55-462 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-360 % similar 5-Bromo-2-chlorobenzoic acid21739-92-460 % similar

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

Same formula

2-Bromo-4-fluorobenzoic acid1006-41-3 3-Bromo-4-fluorobenzoic acid1007-16-5 4-Bromo-2-fluorobenzoic acid112704-79-7 2-Bromo-3-fluorobenzoic acid132715-69-6 4-Bromo-3-fluorobenzoic acid153556-42-4 3-Bromo-2-fluorobenzoic acid161957-56-8 2-Bromo-5-fluorobenzoic acid394-28-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook