chempirical

2,3,4,5-Tetrafluoro-6-chlorobenzoic acid

C7HClF4O2CAS 1868-80-0228.53 g/mol

Open in Covalent MOL file
ClFFFFOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C7HClF4O2
Molar mass
228.53 g/mol
Exact mass
227.9601 Da
logP
2.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1868-80-0
SMILES
C1(=C(C(=C(C(=C1Cl)F)F)F)F)C(=O)O
InChIKey
FTLLRNYFQGXOTN-UHFFFAOYSA-N
InChI
InChI=1S/C7HClF4O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)

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Names and synonyms

1 names
  • 2-Chloro-3,4,5,6-tetrafluorobenzoic acid

Work with 2,3,4,5-Tetrafluoro-6-chlorobenzoic 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

Pentafluorobenzoic acid602-94-868 % similar Tetrafluorophthalic acid652-03-968 % similar Tetrafluoroisophthalic acid1551-39-965 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-864 % similar Chlorthal2136-79-058 % similar Pentachlorobenzoic acid1012-84-656 % similar Tetrachlorophthalic acid632-58-656 % similar 2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-055 % similar

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

Elsewhere

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