chempirical

Ethyl 2,3-dibromobutanoate

C6H10Br2O2CAS 609-11-0273.95 g/mol

Open in Covalent MOL file
OOBrBr
Alkyl halideEster

Properties

Molecular formula
C6H10Br2O2
Molar mass
273.95 g/mol
Exact mass
271.9048 Da
Density
1.7014 g/mL (at 20 °C)
Melting point
58.5 °C
Boiling point
103–104 °C (at 17 Torr)
logP
2.10Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
609-11-0
SMILES
CCOC(=O)C(Br)C(C)Br
InChIKey
YPZLAXFGOUPECS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10Br2O2/c1-3-10-6(9)5(8)4(2)7/h4-5H,3H2,1-2H3

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Names and synonyms

6 names
  • Butanoic acid, 2,3-dibromo-, ethyl ester
  • Butyric acid, 2,3-dibromo-, ethyl ester
  • Butyric acid, α,β-dibromo-, Et ester
  • Ethyl 2,3-dibromobutyrate
  • NSC 83552
  • 2,3-Dibromobutyric acid ethyl ester

Work with Ethyl 2,3-dibromobutanoate

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 2-bromo-3-methylbutanoate609-12-170 % similar Ethyl 2-bromo-2-cyclopropylacetate1200828-74-565 % similar Ethyl 2-bromopropionate535-11-558 % similar Ethyl isobutyrate97-62-153 % similar 1,6-Diethyl 2,5-dibromohexanedioate869-10-353 % similar Ethyl bromofluoroacetate401-55-852 % similar Ethyl α-bromobutyrate533-68-652 % similar Ethyl 2,3-dibromopropanoate3674-13-350 % similar

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

Same formula

Ethyl 2,4-dibromobutyrate36847-51-5

Elsewhere

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