chempirical

2,5-Difluorobenzoic acid

C7H4F2O2CAS 2991-28-8158.10 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
133 °C
logP
1.66Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2991-28-8
SMILES
O=C(O)c1cc(F)ccc1F
InChIKey
LBQMIAVIGLLBGW-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/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, 2,5-difluoro-
  • NSC 190310

Work with 2,5-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

5-Fluorosalicylic acid345-16-466 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-166 % similar 2-Fluoro-5-iodobenzoic acid124700-41-064 % similar 5-Bromo-2-fluorobenzoic acid146328-85-064 % similar 2-Chloro-5-fluorobenzoic acid2252-50-864 % similar 5-Fluoro-2-methylbenzoic acid33184-16-664 % similar 2-Bromo-5-fluorobenzoic acid394-28-564 % similar 5-Chloro-2-fluorobenzoic acid394-30-964 % similar

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

Same formula

3,5-Difluoro-4-hydroxybenzaldehyde118276-06-5 2,4-Difluorobenzoic acid1583-58-0 2,2-Difluoro-1,3-benzodioxole1583-59-1 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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