3-Bromo-4,5-difluorobenzoic acid

C₇H₃BrF₂O₂CAS 1244642-73-6237.00 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
logP: 2.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

1244642-73-6

SMILES

O=C(O)c1cc(F)c(F)c(Br)c1

InChIKey

PBUNICLVOHJWRN-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF2O2/c8-4-1-3(7(11)12)2-5(9)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

1 names

Benzoic acid, 3-bromo-4,5-difluoro-

Work with 3-Bromo-4,5-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

3,4,5-Trifluorobenzoic acid121602-93-573 % similar 4-Bromo-3-fluorobenzoic acid153556-42-463 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-056 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-454 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-653 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-653 % similar 3,4-Difluorobenzoic acid455-86-751 % similar 6-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-87-751 % similar

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

Same formula

4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-7 2-Bromo-3,4-difluorobenzoic acid170108-05-1 4-Bromo-2,6-difluorobenzoic acid183065-68-1 3-Bromo-2,6-difluorobenzoic acid28314-81-0 4-Bromo-2,5-difluorobenzoic acid28314-82-1 5-Bromo-2,4-difluorobenzoic acid28314-83-2

Elsewhere

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