4,5-Difluorophthalic acid

C₈H₄F₂O₄CAS 18959-31-4202.11 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₄F₂O₄
Molar mass: 202.11 g/mol
Exact mass: 202.0078 Da
logP: 1.36Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

18959-31-4

SMILES

C1=C(C(=CC(=C1F)F)C(=O)O)C(=O)O

InChIKey

FFSBOABNRUJQFW-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)

Weigh it out

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

Work with 4,5-Difluorophthalic 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

2,4,5-Trifluorobenzoic acid446-17-383 % similar 4,5-Difluoro-2-iodobenzoic acid130137-05-273 % similar 2-Amino-4,5-difluorobenzoic acid83506-93-873 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-070 % similar 4,5-Difluoro-2-methylbenzoic acid183237-86-770 % similar 2-Bromo-4,5-difluorobenzoic acid64695-84-770 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-667 % similar Pyromellitic acid89-05-467 % similar

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

Same formula

2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-2 3,6-Difluorophthalic acid651-97-8 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid656-46-2

Elsewhere

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