2,3,5,6-Tetrabromo-4-methylphenol

C₇H₄Br₄OCAS 37721-75-8423.72 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₄Br₄O
Molar mass: 423.72 g/mol
Exact mass: 419.6996 Da
Melting point: 209 °C
logP: 4.75Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

37721-75-8

SMILES

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

InChIKey

OMVMKSWFUQZIFD-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br4O/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3

Weigh it out

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

Names and synonyms

4 names

Phenol, 2,3,5,6-tetrabromo-4-methyl-
2,3,5,6-Tetrabromo-p-cresol
4-Methyl-2,3,5,6-tetrabromophenol
Tetrabromo-p-cresol

Work with 2,3,5,6-Tetrabromo-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

2,3,5,6-Tetrabromo-P-xylene23488-38-265 % similar 2,3,5,6-Tetrabromo-1,4-benzenediol2641-89-665 % similar Pentabromophenol608-71-961 % similar Pentabromotoluene87-83-261 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-056 % similar 2,4,6-Tribromo-3-methylphenol4619-74-348 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-447 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-245 % similar

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

Same formula

3,4,5,6-Tetrabromo-O-cresol576-55-6

Elsewhere

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