chempirical

1-Bromo-4-(2-methylpropyl)benzene

C10H13BrCAS 2051-99-2213.12 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C10H13Br
Molar mass
213.12 g/mol
Exact mass
212.0201 Da
Density
1.2609 g/mL (at 20 °C)
Melting point
−49.68 °C
Boiling point
97–98 °C (at 5 Torr)
logP
3.65Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
2051-99-2
SMILES
CC(C)Cc1ccc(Br)cc1
InChIKey
BVBHVVRVSMBCPW-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Br/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3

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

Names and synonyms

7 names
  • Benzene, 1-bromo-4-(2-methylpropyl)-
  • Benzene, 1-bromo-4-isobutyl-
  • 1-Bromo-4-isobutylbenzene
  • 4-Isobutylbromobenzene
  • p-Isobutylbromobenzene
  • 4-Bromoisobutylbenzene
  • 4-Isobutylphenyl bromide

Work with 1-Bromo-4-(2-methylpropyl)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

Isobutylbenzene538-93-256 % similar 4-Bromo-N-isopropylamphetamine hydrochloride109971-39-350 % similar 1-Bromo-4-ethylbenzene1585-07-550 % similar 4-Isobutylbenzaldehyde40150-98-950 % similar 1-Bromo-4-propylbenzene588-93-248 % similar 4′-Isobutylacetophenone38861-78-847 % similar 4-Bromobenzyl bromide589-15-146 % similar 4-Isobutylbenzoic acid38861-88-045 % similar

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

Same formula

1-Bromo-4-phenylbutane13633-25-5 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-3 1-Bromo-4-tert-butylbenzene3972-65-4 1-Bromo-4-butylbenzene41492-05-1

Elsewhere

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