2,3,4,5-Tetrafluoro-6-nitrobenzoic acid

C₇HF₄NO₄CAS 16583-08-7239.08 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₇HF₄NO₄
Molar mass: 239.08 g/mol
Exact mass: 238.9842 Da
Melting point: 135–136 °C
logP: 1.85Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

16583-08-7

SMILES

O=C(O)c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]

InChIKey

JQGBMYKEWLSLCI-UHFFFAOYSA-N

InChI

InChI=1S/C7HF4NO4/c8-2-1(7(13)14)6(12(15)16)5(11)4(10)3(2)9/h(H,13,14)

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

Names and synonyms

2 names

Benzoic acid, 2,3,4,5-tetrafluoro-6-nitro-
2-Nitro-3,4,5,6-tetrafluorobenzoic acid

Work with 2,3,4,5-Tetrafluoro-6-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

Pentafluorobenzoic acid602-94-857 % similar Tetrafluorophthalic acid652-03-957 % similar Pentafluoronitrobenzene880-78-457 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-853 % similar 1-Bromo-2,3,4,5-tetrafluoro-6-nitrobenzene5580-83-649 % similar 3-Fluoro-2-nitrobenzoic acid1000339-51-448 % similar 2-Fluoro-6-nitrobenzoic acid385-02-448 % similar 2-Nitro-1,3-benzenedicarboxylic acid21161-11-547 % similar

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

Elsewhere

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