3,4,5-Trichlorophenol

C₆H₃Cl₃OCAS 609-19-8197.44 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: 101 °C
Boiling point: 275 °C
logP: 3.35Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

609-19-8

SMILES

Oc1cc(Cl)c(Cl)c(Cl)c1

InChIKey

GBNHEBQXJVDXSW-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Phenol, 3,4,5-trichloro-
NSC 243667

Work with 3,4,5-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-Tetrachlorophenol935-95-555 % similar 1,2,3,5-Tetrachlorobenzene634-90-252 % similar 3,4-Dichlorophenol95-77-252 % similar 2,3,4,5-Tetrachlorophenol4901-51-350 % similar 2,3,4,6-Tetrachlorophenol58-90-250 % similar Pentachlorobenzene608-93-550 % similar 1,2,3-Trichlorobenzene87-61-650 % similar Chloroxylenol88-04-050 % similar

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

Same formula

2,3,4-Trichlorophenol15950-66-0 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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