2,6-Difluorobenzoic acid

C₇H₄F₂O₂CAS 385-00-2158.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄F₂O₂
Molar mass: 158.10 g/mol
Exact mass: 158.0179 Da
Melting point: 159 °C
logP: 1.66Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

385-00-2

SMILES

O=C(O)c1c(F)cccc1F

InChIKey

ONOTYLMNTZNAQZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(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, 2,6-difluoro-
NSC 126584

Work with 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

3-Fluorophthalic acid1583-67-178 % similar 2-Chloro-6-fluorobenzoic acid434-75-375 % similar 2-Fluoro-6-iodobenzoic acid111771-08-572 % similar 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-168 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-866 % similar 2-Cyano-6-fluorobenzoic acid887266-96-866 % similar 2,3,6-Trifluorobenzoic acid2358-29-464 % similar 2-Fluoro-6-nitrobenzoic acid385-02-462 % 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 2,3-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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