2-Bromo-5-chlorophenol

C₆H₄BrClOCAS 13659-23-9207.45 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
logP: 2.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

13659-23-9

SMILES

Oc1cc(Cl)ccc1Br

InChIKey

FMRKYXVZQWHGDA-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Phenol, 2-bromo-5-chloro-

Work with 2-Bromo-5-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-Chlorocatechol2138-22-960 % similar 1-Bromo-2,4-dichlorobenzene1193-72-256 % similar 2,4-Dichlorophenol120-83-256 % similar 2,5-Dichlorophenol583-78-856 % similar 4-Bromoresorcinol6626-15-956 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-352 % similar 2-Bromo-5-fluorophenol147460-41-152 % similar 2-Amino-5-chlorophenol28443-50-752 % similar

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

Same formula

4-Bromo-3-chlorophenol13631-21-5 3-Bromo-4-chlorophenol13659-24-0 5-Bromo-2-chlorophenol183802-98-4 4-Bromo-2-chlorophenol3964-56-5 3-Bromo-5-chlorophenol56962-04-0 2-Bromo-4-chlorophenol695-96-5

Elsewhere

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