chempirical

3-Bromocumene

C9H11BrCAS 5433-01-2199.09 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C9H11Br
Molar mass
199.09 g/mol
Exact mass
198.0044 Da
logP
3.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
5433-01-2
SMILES
CC(C)C1=CC(=CC=C1)Br
InChIKey
GBSGGFCCQZUXNB-UHFFFAOYSA-N
InChI
InChI=1S/C9H11Br/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 1-Bromo-3-isopropylbenzene

Work with 3-Bromocumene

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

1,3-Diisopropylbenzene99-62-765 % similar (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-862 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-062 % similar (S)-1-(3-Bromophenyl)ethylamine139305-96-762 % similar (R)-1-(3-Bromophenyl)ethanamine176707-77-062 % similar 1-(3-Bromophenyl)ethanol52780-14-062 % similar 1,3-Dibromo-5-(propan-2-yl)benzene62655-20-360 % similar M-Cymene535-77-354 % similar

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

Same formula

1-Bromo-2-phenylpropane1459-00-3 2-Bromo-1-phenylpropane2114-39-8 3,5-Dimethylbenzyl bromide27129-86-8 1-Bromo-2,4,5-trimethylbenzene5469-19-2 Mesityl bromide576-83-0 1-Bromo-4-isopropylbenzene586-61-8 1-Bromo-4-propylbenzene588-93-2 1-Bromo-3-phenylpropane637-59-2

Elsewhere

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