chempirical

Ethyl 2,3-dibromopropanoate

C5H8Br2O2CAS 3674-13-3259.92 g/mol

Open in Covalent MOL file
OOBrBr
Alkyl halideEster

Properties

Molecular formula
C5H8Br2O2
Molar mass
259.92 g/mol
Exact mass
257.8891 Da
Density
1.7882 g/mL (at 0 °C)
Boiling point
214.5 °C
logP
1.71Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
3674-13-3
SMILES
CCOC(=O)C(Br)CBr
InChIKey
OENICUBCLXKLJQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3

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Names and synonyms

7 names
  • Propanoic acid, 2,3-dibromo-, ethyl ester
  • Propionic acid, 2,3-dibromo-, ethyl ester
  • Ethyl 2,3-dibromopropionate
  • Ethyl α,β-dibromopropionate
  • 2,3-Dibromopropanoic acid ethyl ester
  • NSC 60552
  • 2,3-Dibromopropionic acid ethyl ester

Work with Ethyl 2,3-dibromopropanoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,6-Diethyl 2,5-dibromohexanedioate869-10-371 % similar Ethyl α-bromobutyrate533-68-669 % similar Ethyl 2,4-dibromobutyrate36847-51-568 % similar Ethyl α-bromovalerate615-83-865 % similar Ethyl 2-bromohexanoate615-96-361 % similar Methyl 2,3-dibromopropionate1729-67-560 % similar Ethyl 2-bromotetradecanoate14980-92-857 % similar Ethyl 2-bromooctanoate5445-29-457 % similar

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

Elsewhere

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