chempirical

2-Bromo-5-fluorobenzoic acid

C7H4BrFO2CAS 394-28-5219.01 g/mol

Open in Covalent MOL file
OHOFBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4BrFO2
Molar mass
219.01 g/mol
Exact mass
217.9379 Da
Melting point
151 °C
logP
2.29Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
394-28-5
SMILES
O=C(O)c1cc(F)ccc1Br
InChIKey
OQBMJMJZMDBQSM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

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Names and synonyms

2 names
  • Benzoic acid, 2-bromo-5-fluoro-
  • 5-Fluoro-2-bromobenzoic acid

Work with 2-Bromo-5-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

2,5-Difluorobenzoic acid2991-28-864 % similar 2,5-Dibromobenzoic acid610-71-964 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-164 % similar 5-Fluorosalicylic acid345-16-462 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-360 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-260 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-360 % similar 2-Bromo-5-chlorobenzoic acid21739-93-560 % 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 5-Bromo-2-fluorobenzoic acid146328-85-0 4-Bromo-3-fluorobenzoic acid153556-42-4 3-Bromo-2-fluorobenzoic acid161957-56-8

Elsewhere

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