4-Bromo-2,6-difluorobenzoic acid

C₇H₃BrF₂O₂CAS 183065-68-1237.00 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: 196–198 °C
logP: 2.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

183065-68-1

SMILES

O=C(O)c1c(F)cc(Br)cc1F

InChIKey

IRHPJGPQWZEZRX-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/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, 4-bromo-2,6-difluoro-
2,6-Difluoro-4-bromobenzoic acid

Work with 4-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

2,4,6-Trifluorobenzoic acid28314-80-966 % similar 4-Bromo-2-fluorobenzoic acid112704-79-761 % similar 5-Bromo-3-fluoropicolinic acid669066-91-557 % similar 2,6-Difluorobenzoic acid385-00-257 % similar 4-Bromo-2,6-dichlorobenzoic acid232275-51-356 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-256 % similar 5-Bromo-2-fluorobenzoic acid146328-85-056 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-955 % 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 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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