5-Bromo-2-chlorophenol

C₆H₄BrClOCAS 183802-98-4207.45 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: 57 °C
Boiling point: 230–234 °C (at 744 Torr)
logP: 2.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

183802-98-4

SMILES

Oc1cc(Br)ccc1Cl

InChIKey

UEVFFMZHGNYDKM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Phenol, 5-bromo-2-chloro-
3-Bromo-6-chlorophenol

Work with 5-Bromo-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chlororesorcinol95-88-562 % similar 4-Bromocatechol17345-77-660 % similar 4-Bromo-1,2-dichlorobenzene18282-59-260 % similar 2,5-Dichlorohydroquinone824-69-157 % similar 2,5-Dichlorophenol583-78-856 % similar 4,6-Dichlororesorcinol137-19-954 % similar 2-Chloro-5-fluorophenol3827-49-454 % similar 2,4,5-Trichlorophenol95-95-452 % 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 4-Bromo-2-chlorophenol3964-56-5 3-Bromo-5-chlorophenol56962-04-0 2-Bromo-4-chlorophenol695-96-5

Elsewhere

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