chempirical

2,3-Difluorobenzoic acid

C7H4F2O2CAS 4519-39-5158.10 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
164 °C
logP
1.66Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
4519-39-5
SMILES
O=C(O)c1cccc(F)c1F
InChIKey
JLZVIWSFUPLSOR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

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

Names and synonyms

1 names
  • Benzoic acid, 2,3-difluoro-

Work with 2,3-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

2,3,4-Trifluorobenzoic acid61079-72-970 % similar 2-Fluorobenzoic acid445-29-469 % similar 3-Fluorophthalic acid1583-67-168 % similar 2-Chloro-3-fluorobenzoic acid102940-86-366 % similar 3-Bromo-2-fluorobenzoic acid161957-56-866 % similar 3-Fluoro-2-methylbenzoic acid699-90-164 % similar 2,3-Difluorobenzamide18355-75-463 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-660 % 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 2,5-Difluorobenzoic acid2991-28-8 2,6-Difluorobenzoic acid385-00-2 3,5-Difluorobenzoic acid455-40-3 3,4-Difluorobenzoic acid455-86-7 2,5-Difluoro-4-hydroxybenzaldehyde918523-99-6

Elsewhere

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