3,6-Difluorophthalic acid

C₈H₄F₂O₄CAS 651-97-8202.11 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

651-97-8

SMILES

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

InChIKey

VFLMWMTWWZGXGA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3,6-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

2,3,6-Trifluorobenzoic acid2358-29-476 % similar 2,6-Difluorobenzoic acid385-00-275 % similar 2-Chloro-3,6-difluorobenzoic acid287172-74-170 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-166 % similar 3-Fluorophthalic acid1583-67-164 % similar 3-Chloro-2,6-difluorobenzoic acid225104-76-763 % similar 3-Bromo-2,6-difluorobenzoic acid28314-81-063 % similar 2-Bromo-6-fluorobenzoic acid2252-37-162 % 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 4,5-Difluorophthalic acid18959-31-4 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid656-46-2

Elsewhere

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