chempirical

2-Chlorophenol

C6H5ClOCAS 95-57-8128.56 g/mol

Open in Covalent MOL file
HOCl
Aryl halidePhenol

Properties

Molecular formula
C6H5ClO
Molar mass
128.56 g/mol
Exact mass
128.0029 Da
Density
1.2634 g/mL (at 20 °C)
Melting point
9.8 °C
Boiling point
174.9 °C
logP
2.05Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
95-57-8
SMILES
Oc1ccccc1Cl
InChIKey
ISPYQTSUDJAMAB-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 2-chloro-
  • Phenol, o-chloro-
  • o-Chlorophenol
  • 2-Hydroxychlorobenzene
  • 1-Chloro-2-hydroxybenzene
  • o-Chlorophenic acid
  • NSC 2870
  • NSC 5725

Work with 2-Chlorophenol

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-Dichlorophenol576-24-964 % similar 3-Chloro-2-methylphenol3260-87-558 % similar 2-Chloro-4-phenylphenol92-04-658 % similar Catechol120-80-956 % similar 1,2-Dichlorobenzene95-50-156 % similar 2,5-Dichlorohydroquinone824-69-155 % similar 2,4-Dichlorophenol120-83-254 % similar 2,5-Dichlorophenol583-78-854 % similar

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

Same formula

4-Chlorophenol106-48-9 3-Chlorophenol108-43-0

Elsewhere

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