chempirical

2-Bromo-4,5-difluorobenzoic acid

C7H3BrF2O2CAS 64695-84-7237.00 g/mol

Open in Covalent MOL file
FFBrOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
64695-84-7
SMILES
C1=C(C(=CC(=C1F)F)Br)C(=O)O
InChIKey
DGCBGBZYTNTZJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 2-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

2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-370 % similar 4,5-Difluorophthalic acid18959-31-470 % similar 2,4,5-Trifluorobenzoic acid446-17-366 % similar 4-Bromo-2-chloro-5-fluorobenzoic acid177480-81-863 % similar 4-Bromo-2-fluoro-5-methylbenzoic acid415965-24-163 % similar 4,5-Difluoro-2-iodobenzoic acid130137-05-259 % similar 2-Amino-4,5-difluorobenzoic acid83506-93-859 % similar 2-Bromo-4-fluorobenzoic acid1006-41-359 % 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 2-Bromo-3,4-difluorobenzoic acid170108-05-1 4-Bromo-2,6-difluorobenzoic acid183065-68-1 4-Bromo-2,3-difluorobenzoic acid194804-91-6 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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