2,4,6-Tribromo-3-methylphenol

C₇H₅Br₃OCAS 4619-74-3344.83 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
Melting point: 84 °C
logP: 3.99Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

4619-74-3

SMILES

Cc1c(Br)cc(Br)c(O)c1Br

InChIKey

QKHROXOPRBWBDD-UHFFFAOYSA-N

InChI

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

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Names and synonyms

7 names

Triphysan
Triphysol
Micatex
NSC 74686
Phenol, 2,4,6-tribromo-3-methyl-
m-Cresol, 2,4,6-tribromo-
2,4,6-Tribromo-m-cresol

Work with 2,4,6-Tribromo-3-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-Tribromoresorcinol2437-49-267 % similar 3,5-Dibromo-4-methylphenol13979-81-250 % similar 2,6-Dibromo-4-methylphenol2432-14-650 % similar 2,4,6-Tribromo-3-hydroxybenzaldehyde2737-22-648 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-848 % similar 3,4,5,6-Tetrabromo-O-cresol576-55-646 % similar 3,5-Dibromo-4-methylaniline13194-73-545 % similar 4-Amino-2,6-dibromophenol609-21-245 % similar

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

Same formula

2,4,6-Tribromoanisole607-99-8

Elsewhere

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