chempirical

2-(2-Bromoethyl)oxirane

C4H7BrOCAS 13287-42-8151.00 g/mol

Open in Covalent MOL file
BrO
Alkyl halideEpoxideEther

Properties

Molecular formula
C4H7BrO
Molar mass
151.00 g/mol
Exact mass
149.9680 Da
logP
1.17Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
13287-42-8
SMILES
BrCCC1CO1
InChIKey
ZKODPGZNBMIZFX-UHFFFAOYSA-N
InChI
InChI=1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2

Weigh it out

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

Names and synonyms

8 names
  • Oxirane, 2-(2-bromoethyl)-
  • Butane, 4-bromo-1,2-epoxy-
  • Oxirane, (2-bromoethyl)-
  • 4-Bromo-1,2-epoxybutane
  • 1,2-Epoxy-4-bromobutane
  • (2-Bromoethyl)oxirane
  • NSC 295369
  • 1-Bromo-3,4-epoxybutane

Work with 2-(2-Bromoethyl)oxirane

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

1,2:5,6-Diepoxyhexane1888-89-759 % similar 1,2:7,8-Diepoxyoctane2426-07-553 % similar 2-(Bromomethyl)oxirane3132-64-750 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-445 % similar 2-Butyloxirane1436-34-643 % similar 2-(2-Bromoethyl)-1,3-dioxane33884-43-442 % similar 2-(3-Buten-1-yl)oxirane10353-53-440 % similar Glycerol triglycidyl ether13236-02-740 % similar

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

Same formula

(1Z)-1-Bromo-2-ethoxyethene23521-49-5 3-Bromo-2-butanone814-75-5 Bromomethyl ethyl ketone816-40-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook