chempirical

2,4-Difluorobenzoic acid

C7H4F2O2CAS 1583-58-0158.10 g/mol

Open in Covalent MOL file
OHOFF
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4F2O2
Molar mass
158.10 g/mol
Exact mass
158.0179 Da
Melting point
189 °C
logP
1.66Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1583-58-0
SMILES
O=C(O)c1ccc(F)cc1F
InChIKey
NJYBIFYEWYWYAN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 2,4-difluoro-
  • NSC 10312

Work with 2,4-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

4-Fluoro-2-hydroxybenzoic acid345-29-966 % similar 2-Amino-4-fluorobenzoic acid446-32-266 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-366 % similar 2-Bromo-4-fluorobenzoic acid1006-41-364 % similar 4-Bromo-2-fluorobenzoic acid112704-79-764 % similar 2-Fluoro-4-iodobenzoic acid124700-40-964 % similar 2-Chloro-4-fluorobenzoic acid2252-51-964 % similar 4-Chloro-2-fluorobenzoic acid446-30-064 % similar

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

Same formula

3,5-Difluoro-4-hydroxybenzaldehyde118276-06-5 2,2-Difluoro-1,3-benzodioxole1583-59-1 2,5-Difluorobenzoic acid2991-28-8 2,6-Difluorobenzoic acid385-00-2 2,3-Difluorobenzoic acid4519-39-5 3,5-Difluorobenzoic acid455-40-3 3,4-Difluorobenzoic acid455-86-7 2,5-Difluoro-4-hydroxybenzaldehyde918523-99-6

Elsewhere

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