chempirical

2-Bromo-4-tert-butyl-1-iodo-benzene

C10H12BrICAS 860435-39-8339.01 g/mol

Open in Covalent MOL file
IBr
Aryl halide

Properties

Molecular formula
C10H12BrI
Molar mass
339.01 g/mol
Exact mass
337.9167 Da
logP
4.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
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
860435-39-8
SMILES
CC(C)(C)C1=CC(=C(C=C1)I)Br
InChIKey
XNKAPUCNAVBLOL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12BrI/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,1-3H3

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Names and synonyms

1 names
  • 3-Bromo-4-iodo-tert-butylbenzene

Work with 2-Bromo-4-tert-butyl-1-iodo-benzene

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-Bromo-4-(tert-butyl)aniline103273-01-456 % similar 2-Bromo-4-tert-butylphenol2198-66-556 % similar 2-Bromo-4,4'-di-tert-butylbiphenyl70728-89-155 % similar 3-Bromo-4-iodotoluene71838-16-952 % similar 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-147 % similar 2-Bromo-1-iodo-4-methoxybenzene466639-53-247 % similar 4-Chloro-3,5-dibromo-tert-butylbenzene1000578-25-547 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-447 % similar

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

Elsewhere

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