2-Bromo-4-chlorophenol

C₆H₄BrClOCAS 695-96-5207.45 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄BrClO
Molar mass: 207.45 g/mol
Exact mass: 205.9134 Da
Melting point: 31 °C
Boiling point: 228–235 °C
logP: 2.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

695-96-5

SMILES

Oc1ccc(Cl)cc1Br

InChIKey

ZIYRDJLAJYTELF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

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

Names and synonyms

2 names

Phenol, 2-bromo-4-chloro-
NSC 59695

Work with 2-Bromo-4-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

2,4-Dichlorophenol120-83-262 % similar 4-Chlorocatechol2138-22-960 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 2-Bromo-1,4-benzenediol583-69-756 % similar 2,4-Dibromophenol615-58-756 % similar 2,2'-Methylenebis(4-chlorophenol)1322-43-652 % similar 4-Chloro-2-methylphenol1570-64-552 % similar 4-Amino-2-bromophenol16750-67-752 % similar

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

Same formula

4-Bromo-3-chlorophenol13631-21-5 2-Bromo-5-chlorophenol13659-23-9 3-Bromo-4-chlorophenol13659-24-0 5-Bromo-2-chlorophenol183802-98-4 4-Bromo-2-chlorophenol3964-56-5 3-Bromo-5-chlorophenol56962-04-0

Elsewhere

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