1-Bromo-4-dodecylbenzene

C₁₈H₂₉BrCAS 126930-72-1325.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₉Br
Molar mass: 325.33 g/mol
Exact mass: 324.1453 Da
logP: 6.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 11

Identifiers

CAS number

126930-72-1

SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)Br

InChIKey

RFFMRBISTZHCNY-UHFFFAOYSA-N

InChI

InChI=1S/C18H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12H2,1H3

Weigh it out

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

Work with 1-Bromo-4-dodecylbenzene

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-4-nonylbenzene51554-94-0100 % similar 1-Bromo-4-pentylbenzene51554-95-196 % similar 1-Bromo-4-butylbenzene41492-05-183 % similar 1-Bromo-4-propylbenzene588-93-268 % similar 1-Nonyl-4-phenol104-40-564 % similar 4-N-Octylphenol1806-26-464 % similar 4-N-Heptylphenol1987-50-464 % similar Decylbenzene104-72-362 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook