2,3,6-Trichlorophenol

C₆H₃Cl₃OCAS 933-75-5197.44 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃Cl₃O
Molar mass: 197.44 g/mol
Exact mass: 195.9249 Da
Density: 1.5 g/mL
Melting point: 58 °C
Boiling point: 272 °C
logP: 3.35Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

933-75-5

SMILES

Oc1c(Cl)ccc(Cl)c1Cl

InChIKey

XGCHAIDDPMFRLJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

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

Names and synonyms

1 names

Phenol, 2,3,6-trichloro-

Work with 2,3,6-Trichlorophenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5,6-Tetrachlorophenol935-95-559 % similar 1,2,3,4-Tetrachlorobenzene634-66-258 % similar 2,3,4,6-Tetrachlorophenol58-90-254 % similar 2,3-Dichlorophenol576-24-948 % similar 1,2,3-Trichlorobenzene87-61-648 % similar Tetrachloro-P-hydroquinone87-87-645 % similar 2-Chloro-6-fluorophenol2040-90-644 % similar 2-Chloro-6-methylphenol87-64-944 % similar

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

Same formula

2,3,4-Trichlorophenol15950-66-0 3,4,5-Trichlorophenol609-19-8 2,4,6-Trichlorophenol88-06-2 2,3,5-Trichlorophenol933-78-8 2,4,5-Trichlorophenol95-95-4

Elsewhere

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