chempirical

2-Fluoro-4-nitrobenzoic acid

C7H4FNO4CAS 403-24-7185.11 g/mol

Open in Covalent MOL file
OHON+OO−F
Aryl halideCarboxylic acidNitro

Properties

Molecular formula
C7H4FNO4
Molar mass
185.11 g/mol
Exact mass
185.0124 Da
Melting point
176–177 °C
logP
1.43Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
403-24-7
SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1F
InChIKey
MMWFMFZFCKADEL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO4/c8-6-3-4(9(12)13)1-2-5(6)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

3 names
  • Benzoic acid, 2-fluoro-4-nitro-
  • NSC 190361
  • 2-Fluoro-4-nitrobenzenecarboxylic acid

Work with 2-Fluoro-4-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

2,4-Dinitrobenzoic acid610-30-068 % similar 2-Amino-4-nitrobenzoic acid619-17-067 % similar 2-Hydroxy-4-nitrobenzoic acid619-19-267 % similar 2-Methyl-4-nitrobenzoic acid1975-51-565 % similar 2-Chloro-4-nitrobenzoic acid99-60-565 % similar 4-Nitro-2-(trifluoromethyl)benzoic acid320-37-664 % similar 2,5-Dinitrobenzoic acid610-28-664 % similar 2,5-Difluoro-4-nitrobenzoic acid116465-48-663 % 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 4-Fluoro-2-nitrobenzoic acid394-01-4 3-Fluoro-4-nitrobenzoic acid403-21-4 4-Fluoro-3-nitrobenzoic acid453-71-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook