4-Bromo-3-chlorophenol

C₆H₄BrClOCAS 13631-21-5207.45 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: 63 °C
logP: 2.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

13631-21-5

SMILES

Oc1ccc(Br)c(Cl)c1

InChIKey

FQEYHIPPYOSPLF-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Phenol, 4-bromo-3-chloro-
3-Chloro-4-bromophenol

Work with 4-Bromo-3-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

Chlorohydroquinone615-67-862 % similar 3,4-Dichlorophenol95-77-260 % similar 1-Bromo-2-chlorobenzene694-80-458 % similar 1-Bromo-2,4-dichlorobenzene1193-72-256 % similar 4-Bromoresorcinol6626-15-956 % similar 3-Amino-4-bromophenol100367-37-152 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-552 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar

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

Same formula

2-Bromo-5-chlorophenol13659-23-9 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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