chempirical

4,5-Difluoro-2-nitrobenzoic acid

C7H3F2NO4CAS 20372-63-8203.10 g/mol

Open in Covalent MOL file
OHOFFN+OO−
Aryl halideCarboxylic acidNitro

Properties

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

Identifiers

CAS number
20372-63-8
SMILES
O=C(O)c1cc(F)c(F)cc1[N+](=O)[O-]
InChIKey
HGGRAOYTQNFGGN-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12)

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

Names and synonyms

3 names
  • Benzoic acid, 4,5-difluoro-2-nitro-
  • 2-Nitro-4,5-difluorobenzoic acid
  • 3,4-Difluoro-6-nitrobenzoic acid

Work with 4,5-Difluoro-2-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

4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-076 % similar 4-Fluoro-2-nitrobenzoic acid394-01-466 % similar 5-Fluoro-2-nitrobenzoic acid320-98-964 % similar 2-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-763 % similar 3-Fluoro-4-nitrobenzoic acid403-21-460 % similar 2-Fluoro-4-nitrobenzoic acid403-24-760 % similar 4-Fluoro-3-nitrobenzoic acid453-71-460 % similar 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid106809-14-760 % similar

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

Same formula

2,5-Difluoro-4-nitrobenzoic acid116465-48-6

Elsewhere

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