2,6-Difluoro-3-nitrobenzoic acid

C₇H₃F₂NO₄CAS 83141-10-0203.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₇H₃F₂NO₄
Molar mass: 203.10 g/mol
Exact mass: 203.0030 Da
logP: 1.57Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

83141-10-0

SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])F)C(=O)O)F

InChIKey

PDDHSNODMFIIRV-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 2,6-Difluoro-3-nitrobenzoic 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-Fluoro-6-nitrobenzoic acid385-02-468 % similar Methyl 2,6-difluoro-3-nitrobenzoate84832-01-961 % similar 2,3,6-Trifluorobenzoic acid2358-29-461 % similar 2-Fluoro-3-nitrobenzoic acid317-46-460 % similar 3-Fluoro-4-nitrobenzoic acid403-21-460 % similar 4-Fluoro-3-nitrobenzoic acid453-71-460 % similar 1,2,3-Trifluoro-4-nitrobenzene771-69-759 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-155 % similar

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

Same formula

2,5-Difluoro-4-nitrobenzoic acid116465-48-6 2,4-Difluoro-5-nitrobenzoic acid153775-33-8 4,5-Difluoro-2-nitrobenzoic acid20372-63-8

Elsewhere

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