3-Bromo-4-chlorophenol

C₆H₄BrClOCAS 13659-24-0207.45 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
logP: 2.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

13659-24-0

SMILES

C1=CC(=C(C=C1O)Br)Cl

InChIKey

JLFFHIKASCUQRL-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dichlorophenol95-77-260 % similar 2-Bromo-1,4-dichlorobenzene1435-50-356 % similar 2-Bromo-1,4-benzenediol583-69-756 % similar Chlorohydroquinone615-67-856 % similar 4-Chlororesorcinol95-88-556 % similar 1-Bromo-2-chlorobenzene694-80-452 % similar 3-Amino-4-chlorophenol16026-77-052 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-252 % 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 5-Bromo-2-chlorophenol183802-98-4 4-Bromo-2-chlorophenol3964-56-5 3-Bromo-5-chlorophenol56962-04-0 2-Bromo-4-chlorophenol695-96-5 3-Bromo-2-chlorophenol863870-87-5

Elsewhere

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