1,3-Dibromo-5-tert-butylbenzene

C₁₀H₁₂Br₂CAS 129316-09-2292.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂Br₂
Molar mass: 292.01 g/mol
Exact mass: 289.9306 Da
logP: 4.51Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

129316-09-2

SMILES

CC(C)(C)C1=CC(=CC(=C1)Br)Br

InChIKey

SSPNOMJZVHXOII-UHFFFAOYSA-N

InChI

InChI=1S/C10H12Br2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3

Weigh it out

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

Work with 1,3-Dibromo-5-tert-butylbenzene

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

1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-989 % similar 1,3,5-Tri-tert-butylbenzene1460-02-258 % similar 1-Bromo-4-tert-butylbenzene3972-65-457 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-350 % similar 4-Chloro-3,5-dibromo-tert-butylbenzene1000578-25-548 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-248 % similar 3,5-Di-tert-butyltoluene15181-11-046 % similar 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-146 % similar

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

Same formula

1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-4

Elsewhere

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