chempirical

Tetrachlorocatechol

C6H2Cl4O2CAS 1198-55-6247.88 g/mol

Open in Covalent MOL file
HOHOClClClCl
Aryl halidePhenol

Properties

Molecular formula
C6H2Cl4O2
Molar mass
247.88 g/mol
Exact mass
245.8809 Da
Melting point
194 °C
logP
3.71Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
1198-55-6
SMILES
Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIKey
RRBMVWQICIXSEO-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,2-Benzenediol, 3,4,5,6-tetrachloro-
  • Pyrocatechol, tetrachloro-
  • 3,4,5,6-Tetrachloro-1,2-benzenediol
  • Tetrachloropyrocatechol
  • Tetrachloro-1,2-benzenediol
  • 3,4,5,6-Tetrachlorocatechol
  • Tetrachloro-1,2-hydroquinone
  • 3,4,5,6-Tetrachloro-1,2-dihydroxybenzene
  • 3,4,5,6-Tetrachlorobenzenediol
  • Tetrachloro-o-hydroquinone
  • 3,4,5,6-Tetrachloropyrocatechol
  • NSC 29027
  • 3,4,5,6-Tetrachloro-2-hydroxyphenol

Work with Tetrachlorocatechol

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

Pentachlorophenol87-86-585 % similar Hexachlorobenzene118-74-150 % similar 2,3,4,6-Tetrachlorophenol58-90-248 % similar 2,3,5,6-Tetrachlorophenol935-95-545 % similar 2,3,6-Trichlorophenol933-75-543 % similar Octachloronaphthalene2234-13-140 % similar 2-Chlororesorcinol6201-65-635 % similar 2,3,4,5-Tetrachlorophenol4901-51-335 % similar

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

Same formula

Tetrachloro-P-hydroquinone87-87-6

Elsewhere

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