3-Bromo-2,6-difluorobenzoic acid

C₇H₃BrF₂O₂CAS 28314-81-0237.00 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: 137–139 °C
logP: 2.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

28314-81-0

SMILES

O=C(O)c1c(F)ccc(Br)c1F

InChIKey

WEBVJSPIUIPJKV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 3-bromo-2,6-difluoro-

Work with 3-Bromo-2,6-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

2,3,6-Trifluorobenzoic acid2358-29-471 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-163 % similar 3-Bromo-2-fluorobenzoic acid161957-56-856 % similar 2,6-Difluorobenzoic acid385-00-255 % similar 3-Bromo-4-fluorobenzoic acid1007-16-554 % similar 4-Bromo-3-fluorobenzoic acid153556-42-454 % similar 2-Amino-3,5-dibromo-6-fluorobenzoic acid175135-10-154 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-653 % 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 4-Bromo-2,5-difluorobenzoic acid28314-82-1 5-Bromo-2,4-difluorobenzoic acid28314-83-2

Elsewhere

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