2,3,4-Trichlorophenol

C₆H₃Cl₃OCAS 15950-66-0197.44 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
Melting point: 83.5 °C
logP: 3.35Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

15950-66-0

SMILES

Oc1ccc(Cl)c(Cl)c1Cl

InChIKey

HSQFVBWFPBKHEB-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Phenol, 2,3,4-trichloro-

Work with 2,3,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dichlorophenol576-24-965 % similar 1,2,3,4-Tetrachlorobenzene634-66-263 % similar 2,3,4,5-Tetrachlorophenol4901-51-358 % similar 2,4-Dichloro-3-aminophenol hydrochloride61693-43-455 % similar 2-Chlororesorcinol6201-65-655 % similar 4-Chloro-1-naphthol604-44-448 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-346 % similar 2,3,4-Trichloroaniline634-67-346 % similar

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

Same formula

3,4,5-Trichlorophenol609-19-8 2,4,6-Trichlorophenol88-06-2 2,3,6-Trichlorophenol933-75-5 2,3,5-Trichlorophenol933-78-8 2,4,5-Trichlorophenol95-95-4

Elsewhere

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