chempirical

3-Fluorophthalic acid

C8H5FO4CAS 1583-67-1184.12 g/mol

Open in Covalent MOL file
OHOFOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H5FO4
Molar mass
184.12 g/mol
Exact mass
184.0172 Da
Melting point
167–168 °C
logP
1.22Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
1583-67-1
SMILES
O=C(O)c1cccc(F)c1C(=O)O
InChIKey
BBCQSMSCEJBIRD-UHFFFAOYSA-N
InChI
InChI=1S/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

4 names
  • 1,2-Benzenedicarboxylic acid, 3-fluoro-
  • Phthalic acid, 3-fluoro-
  • 3-Fluoro-1,2-benzenedicarboxylic acid
  • NSC 402999

Work with 3-Fluorophthalic 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

2,6-Difluorobenzoic acid385-00-278 % similar Hemimellitic acid569-51-770 % similar 2-Fluorobenzoic acid445-29-469 % similar 2,3-Difluorobenzoic acid4519-39-568 % similar 2-Chloro-3-fluorobenzoic acid102940-86-366 % similar 2-Chloro-6-fluorobenzoic acid434-75-366 % similar 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-165 % similar 2-Fluoro-6-iodobenzoic acid111771-08-564 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook