3,5-Dichlorophenol

C₆H₄Cl₂OCAS 591-35-5163.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄Cl₂O
Molar mass: 163.00 g/mol
Exact mass: 161.9639 Da
Melting point: 68 °C
Boiling point: 233 °C (at 757 Torr)
logP: 2.70Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

591-35-5

SMILES

Oc1cc(Cl)cc(Cl)c1

InChIKey

VPOMSPZBQMDLTM-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

Weigh it out

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

Names and synonyms

2 names

Phenol, 3,5-dichloro-
NSC 60649

Work with 3,5-Dichlorophenol

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

3-Chloro-5-fluorophenol202982-70-564 % similar 3-Bromo-5-chlorophenol56962-04-064 % similar 1,3,5-Trichlorobenzene108-70-360 % similar 3-Chlorophenol108-43-057 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-656 % similar 3-Chloro-5-methoxyphenol65262-96-656 % similar 5-Chloro-3-pyridinol74115-12-152 % similar 4-Chlorophenol106-48-950 % similar

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

Same formula

2,4-Dichlorophenol120-83-2 2,3-Dichlorophenol576-24-9 2,5-Dichlorophenol583-78-8 2,6-Dichlorophenol87-65-0 3,4-Dichlorophenol95-77-2

Elsewhere

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