4-(5-Bromo-2-chlorobenzyl)phenol

C₁₃H₁₀BrClOCAS 864070-18-8297.58 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₃H₁₀BrClO
Molar mass: 297.58 g/mol
Exact mass: 295.9604 Da
logP: 4.40Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

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

864070-18-8

SMILES

C1=CC(=CC=C1CC2=C(C=CC(=C2)Br)Cl)O

InChIKey

CSQCYSDEAYXXTN-UHFFFAOYSA-N

InChI

InChI=1S/C13H10BrClO/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2

Weigh it out

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Names and synonyms

1 names

4-((5-Bromo-2-chlorophenyl)methyl)phenol

Work with 4-(5-Bromo-2-chlorobenzyl)phenol

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-Bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene461432-23-560 % similar (5-Bromo-2-chlorophenyl)methanol149965-40-259 % similar (S)-3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran915095-89-552 % similar 5-Bromo-2-chlorophenol183802-98-450 % similar 4-Bromo-2-chlorophenol3964-56-547 % similar 4-Bromo-1,2-dichlorobenzene18282-59-247 % similar Bisphenol F620-92-847 % similar 4-Chloro-3-ethylphenol14143-32-946 % similar

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

Elsewhere

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