chempirical

1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)

C6H8Br2O4CAS 3785-34-0303.93 g/mol

Open in Covalent MOL file
OBrOOOBr
Alkyl halideEster

Properties

Molecular formula
C6H8Br2O4
Molar mass
303.93 g/mol
Exact mass
301.8789 Da
Boiling point
135–136 °C (at 1.5 Torr)
logP
0.86Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
3785-34-0
SMILES
O=C(CBr)OCCOC(=O)CBr
InChIKey
WGHAPLWNJPAJDE-UHFFFAOYSA-N
InChI
InChI=1S/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2

Weigh it out

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

Names and synonyms

12 names
  • Acetic acid, 2-bromo-, 1,1′-(1,2-ethanediyl) ester
  • Acetic acid, bromo-, ethylene ester
  • Acetic acid, bromo-, 1,2-ethanediyl ester
  • Ethylene glycol, bis(bromoacetate)
  • Pandurol
  • Bromoacetic acid 1,2-ethanediyl ester
  • 1,2-Bis(bromoacetoxy)ethane
  • Ethylene bromoacetate
  • BBAE
  • NSC 25854
  • NSC 406054
  • Ethylene bis(2-bromoacetate)

Work with 1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)

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

Ethyl bromoacetate105-36-261 % similar 1,4-Bis(bromoacetoxy)-2-butene20679-58-761 % similar Bromoacetic anhydride13094-51-460 % similar Methyl 2-bromoacetate96-32-252 % similar Benzyl bromoacetate5437-45-648 % similar Ethylene brassylate105-95-348 % similar Glycol dimercaptoacetate123-81-948 % similar P-Dioxanone3041-16-548 % similar

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

Elsewhere

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