chempirical

4-Fluoro-2-nitrobenzoic acid

C7H4FNO4CAS 394-01-4185.11 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
130 °C
logP
1.43Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
394-01-4
SMILES
O=C(O)c1ccc(F)cc1[N+](=O)[O-]
InChIKey
YLUCXHMYRQUERW-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/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, 4-fluoro-2-nitro-
  • 2-Nitro-4-fluorobenzoic acid

Work with 4-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

Nitroterephthalic acid610-29-770 % similar 2,4-Dinitrobenzoic acid610-30-070 % similar 4-Chloro-2-nitrobenzoic acid6280-88-267 % similar 4,5-Difluoro-2-nitrobenzoic acid20372-63-866 % similar 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-563 % similar 2-Nitrobenzoic acid552-16-962 % similar 4-Methoxy-2-nitrobenzoic acid33844-21-262 % similar 2,5-Difluoro-4-nitrobenzoic acid116465-48-660 % similar

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

Same formula

3-Fluoro-2-nitrobenzoic acid1000339-51-4 5-Fluoro-2-nitrobenzoic acid320-98-9 2-Fluoro-6-nitrobenzoic acid385-02-4 3-Fluoro-4-nitrobenzoic acid403-21-4 2-Fluoro-4-nitrobenzoic acid403-24-7 4-Fluoro-3-nitrobenzoic acid453-71-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook