chempirical

2-Fluoro-6-nitrobenzoic acid

C7H4FNO4CAS 385-02-4185.11 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
logP
1.43Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
385-02-4
SMILES
O=C(O)c1c(F)cccc1[N+](=O)[O-]
InChIKey
MPDZCNPDHUUPRL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(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

2 names
  • Benzoic acid, 2-fluoro-6-nitro-
  • 6-Fluoro-2-nitrobenzoic acid

Work with 2-Fluoro-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

2-Chloro-6-nitrobenzoic acid5344-49-067 % similar 2-Methyl-6-nitrobenzoic acid13506-76-865 % similar 2-Amino-6-nitrobenzoic acid50573-74-565 % similar 2,6-Difluorobenzoic acid385-00-262 % similar 1,2-Difluoro-3-nitrobenzene6921-22-857 % similar 1-Methyl 3-nitro-1,2-benzenedicarboxylate21606-04-257 % similar 2-Fluoro-6-nitrophenol1526-17-656 % similar 2-Nitrobenzoic acid552-16-956 % similar

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

Same formula

3-Fluoro-2-nitrobenzoic acid1000339-51-4 3-Fluoro-5-nitrobenzoic acid14027-75-9 5-Fluoro-2-nitrobenzoic acid320-98-9 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

PubChem CAS Common Chemistry NIST WebBook