5-Bromo-2,4-difluorobenzoic acid

C₇H₃BrF₂O₂CAS 28314-83-2237.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃BrF₂O₂
Molar mass: 237.00 g/mol
Exact mass: 235.9284 Da
Melting point: 148–150 °C
logP: 2.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

28314-83-2

SMILES

O=C(O)c1cc(Br)c(F)cc1F

InChIKey

BLSMDXUAEFVYID-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 5-bromo-2,4-difluoro-
3-Bromo-4,6-difluorobenzoic acid

Work with 5-Bromo-2,4-difluorobenzoic 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

2,4,5-Trifluorobenzoic acid446-17-369 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-362 % similar 5-Chloro-2,4-difluorobenzoic acid130025-33-159 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-057 % similar 4-Bromo-2-fluorobenzoic acid112704-79-757 % similar 5-Bromo-2-fluorobenzoic acid146328-85-057 % similar 4-Bromo-3-fluorobenzoic acid153556-42-457 % similar 2,5-Difluoro-4-methylbenzoic acid103877-80-154 % similar

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

Same formula

3-Bromo-4,5-difluorobenzoic acid1244642-73-6 4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-7 4-Bromo-2,6-difluorobenzoic acid183065-68-1 3-Bromo-2,6-difluorobenzoic acid28314-81-0 4-Bromo-2,5-difluorobenzoic acid28314-82-1

Elsewhere

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