chempirical

4-Chloro-3,5-dibromo-tert-butylbenzene

C10H11Br2ClCAS 1000578-25-5326.46 g/mol

Open in Covalent MOL file
BrClBr
Aryl halide

Properties

Molecular formula
C10H11Br2Cl
Molar mass
326.46 g/mol
Exact mass
323.8916 Da
logP
5.16Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1000578-25-5
SMILES
CC(C)(C)C1=CC(=C(C(=C1)Br)Cl)Br
InChIKey
WMMPUKCLMBOGTC-UHFFFAOYSA-N
InChI
InChI=1S/C10H11Br2Cl/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,1-3H3

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Names and synonyms

1 names
  • 1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene

Work with 4-Chloro-3,5-dibromo-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

2-Bromo-4,6-di-tert-butylphenol20834-61-150 % similar 1,3-Dibromo-5-tert-butylbenzene129316-09-248 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-948 % similar 1,3,5-Tri-tert-butylbenzene1460-02-248 % similar 2-Bromo-4-(tert-butyl)aniline103273-01-447 % similar 2-Bromo-4-tert-butylphenol2198-66-547 % similar 1,3-Dibromo-2-chloro-5-fluorobenzene179897-90-646 % similar 1,3-Di-tert-butylbenzene1014-60-441 % similar

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

Elsewhere

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