chempirical

1-Bromo-7-phenylheptane

C13H19BrCAS 78573-85-0255.20 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C13H19Br
Molar mass
255.20 g/mol
Exact mass
254.0670 Da
logP
4.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

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
78573-85-0
SMILES
C1=CC=C(C=C1)CCCCCCCBr
InChIKey
ASLQYSAHLPRDAY-UHFFFAOYSA-N
InChI
InChI=1S/C13H19Br/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2

Weigh it out

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

Work with 1-Bromo-7-phenylheptane

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-5-phenylpentane14469-83-1100 % similar 1-Bromo-6-phenylhexane27976-27-8100 % similar 1-Bromo-8-phenyloctane54646-75-2100 % similar 1-Bromo-10-phenyldecane85562-26-1100 % similar 1-Bromo-4-phenylbutane13633-25-595 % similar 1-Bromo-3-phenylpropane637-59-280 % similar 2-Phenylethyl bromide103-63-967 % similar Benzyl 4-bromobutyl ether60789-54-057 % similar

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

Same formula

1-Bromo-4-N-heptylbenzene76287-49-5

Elsewhere

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