chempirical

4-Chloro-2-iodophenol

C6H4ClIOCAS 71643-66-8254.45 g/mol

Open in Covalent MOL file
HOClI
Aryl halidePhenol

Properties

Molecular formula
C6H4ClIO
Molar mass
254.45 g/mol
Exact mass
253.8995 Da
Melting point
78 °C
logP
2.65Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
71643-66-8
SMILES
Oc1ccc(Cl)cc1I
InChIKey
JKPLMQJLGBBFLO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

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Names and synonyms

2 names
  • Phenol, 4-chloro-2-iodo-
  • 2-Iodo-4-chlorophenol

Work with 4-Chloro-2-iodophenol

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

4-Chlorocatechol2138-22-960 % similar 4-Chloro-2-methylphenol1570-64-557 % similar 2,4-Dichlorophenol120-83-256 % similar 1,4-Dichloro-2-iodobenzene29682-41-556 % similar 2,2'-Methylenebis(4-chlorophenol)1322-43-652 % similar 2-Iodo-4-methylphenol16188-57-152 % similar 4-Chloro-2-fluorophenol348-62-952 % similar 5-Chloro-2-methylphenol5306-98-952 % similar

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

Elsewhere

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