5-Bromo-2-iodo-1,3-dimethylbenzene

C₈H₈BrICAS 206559-43-5310.96 g/mol

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Properties

Molecular formula: C₈H₈BrI
Molar mass: 310.96 g/mol
Exact mass: 309.8854 Da
logP: 3.67Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

206559-43-5

SMILES

Cc1cc(Br)cc(C)c1I

InChIKey

BSIRLLZFIVAHES-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

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Names and synonyms

3 names

Benzene, 5-bromo-2-iodo-1,3-dimethyl-
4-Bromo-2,6-dimethyliodobenzene
4-Bromo-2,6-dimethyl-1-iodobenzene

Work with 5-Bromo-2-iodo-1,3-dimethylbenzene

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

Iodomesitylene4028-63-155 % similar 4-Bromo-2,6-dimethylphenol2374-05-254 % similar 4-Bromo-2,6-dimethylbenzenamine24596-19-854 % similar 5-Bromo-2-iodotoluene116632-39-450 % similar 2,5-Dibromotoluene615-59-846 % similar 3,5-Dibromotoluene1611-92-343 % similar 1,3-Dibromo-5-iodobenzene19752-57-943 % similar 2-Iodo-1,3-dimethylbenzene608-28-643 % similar

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

Same formula

4-Bromo-2-ethyl-1-iodobenzene175278-30-5

Elsewhere

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