2,3,6-Tribromo-4-methylphenol

C₇H₅Br₃OCAS 36776-51-9344.83 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₅Br₃O
Molar mass: 344.83 g/mol
Exact mass: 341.7891 Da
logP: 3.99Crippen 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

36776-51-9

SMILES

CC1=CC(=C(C(=C1Br)Br)O)Br

InChIKey

FTGDPJRWRYCBFF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br3O/c1-3-2-4(8)7(11)6(10)5(3)9/h2,11H,1H3

Weigh it out

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Work with 2,3,6-Tribromo-4-methylphenol

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

2,4,6-Tribromoresorcinol2437-49-260 % similar 2-Bromo-6-methylphenol13319-71-652 % similar 2,6-Dibromo-4-methylphenol2432-14-650 % similar 4-Bromo-3,5-dimethylphenol7463-51-650 % similar 2,5-Dibromo-p-xylene1074-24-448 % similar 4,5-Dibromo-O-xylene24932-48-748 % similar 4-Bromo-3-methylphenol14472-14-145 % similar 3-Bromo-4-methylphenol60710-39-645 % similar

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

Same formula

2,4,6-Tribromo-3-methylphenol4619-74-3 2,4,6-Tribromoanisole607-99-8

Elsewhere

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