chempirical

5-Fluoro-2-nitrobenzoic acid

C7H4FNO4CAS 320-98-9185.11 g/mol

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

Properties

Molecular formula
C7H4FNO4
Molar mass
185.11 g/mol
Exact mass
185.0124 Da
Melting point
134.5 °C
logP
1.43Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
320-98-9
SMILES
O=C(O)c1cc(F)ccc1[N+](=O)[O-]
InChIKey
GHYZIXDKAPMFCS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO4/c8-4-1-2-6(9(12)13)5(3-4)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

4 names
  • Benzoic acid, 5-fluoro-2-nitro-
  • 2-Nitro-5-fluorobenzoic acid
  • 5-Fluoro-2-nitrobenzenecarboxylic acid
  • 3-Fluoro-6-nitrobenzoic acid

Work with 5-Fluoro-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

2,5-Dinitrobenzoic acid610-28-668 % similar 5-Hydroxy-2-nitrobenzoic acid610-37-767 % similar 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-566 % similar 5-Amino-2-nitrobenzoic acid13280-60-965 % similar 5-Chloro-2-nitrobenzoic acid2516-95-265 % similar 5-Methyl-2-nitrobenzoic acid3113-72-265 % similar Ellman'S reagent69-78-365 % similar 4,5-Difluoro-2-nitrobenzoic acid20372-63-864 % similar

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

Same formula

3-Fluoro-2-nitrobenzoic acid1000339-51-4 2-Fluoro-6-nitrobenzoic acid385-02-4 4-Fluoro-2-nitrobenzoic acid394-01-4 3-Fluoro-4-nitrobenzoic acid403-21-4 2-Fluoro-4-nitrobenzoic acid403-24-7 4-Fluoro-3-nitrobenzoic acid453-71-4

Elsewhere

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