chempirical

1-Bromo-3-ethylheptane

C9H19BrCAS 227953-67-5207.15 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C9H19Br
Molar mass
207.15 g/mol
Exact mass
206.0670 Da
logP
3.99Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

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
227953-67-5
SMILES
CCCCC(CC)CCBr
InChIKey
BPUIDVMFGJZFRJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H19Br/c1-3-5-6-9(4-2)7-8-10/h9H,3-8H2,1-2H3

Weigh it out

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

Work with 1-Bromo-3-ethylheptane

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-Ethylhexyl bromide18908-66-265 % similar Di(2-ethylhexyl)ether10143-60-958 % similar 2-Ethylhexylamine104-75-654 % similar 2-Ethylhexanol104-76-754 % similar Bis(2-ethylhexyl)amine106-20-754 % similar 3-(Chloromethyl)heptane123-04-654 % similar Tris(2-ethylhexyl)amine1860-26-054 % similar 2-Ethyl-1-hexanethiol7341-17-554 % similar

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

Same formula

1-Bromononane693-58-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook