3-Bromo-5-chlorophenol

C₆H₄BrClOCAS 56962-04-0207.45 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: 70 °C
Boiling point: 256 °C
logP: 2.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

56962-04-0

SMILES

Oc1cc(Cl)cc(Br)c1

InChIKey

GMGWXLPFRHYWAS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Phenol, 3-bromo-5-chloro-

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromoresorcinol106120-04-164 % similar Bromo-3,5-dichlorobenzene19752-55-764 % similar 3,5-Dichlorophenol591-35-564 % similar 3,5-Dibromophenol626-41-564 % similar 1-Bromo-3-chloro-5-iodobenzene13101-40-150 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-050 % similar 3-Chloro-5-fluorophenol202982-70-550 % similar 3-Bromophenol591-20-848 % 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 2-Bromo-4-chlorophenol695-96-5

Elsewhere

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