chempirical

Ethyl (E)-4-bromo-2-butenoate

C6H9BrO2CAS 37746-78-4193.04 g/mol

Open in Covalent MOL file
OOBr
AlkeneAlkyl halideEster

Properties

Molecular formula
C6H9BrO2
Molar mass
193.04 g/mol
Exact mass
191.9786 Da
Boiling point
91–93 °C (at 10 Torr)
logP
1.50Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
37746-78-4
SMILES
CCOC(=O)/C=C/CBr
InChIKey
FHGRPBSDPBRTLS-ONEGZZNKSA-N
InChI
InChI=1S/C6H9BrO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3/b4-3+

Weigh it out

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

Names and synonyms

15 names · show all
  • 2-Butenoic acid, 4-bromo-, ethyl ester, (2E)-
  • 2-Butenoic acid, 4-bromo-, ethyl ester, (E)-
  • trans-Ethyl γ-bromocrotonate
  • Ethyl 4-bromo-2-(E)-butenoate
  • Ethyl bromocrotonate
  • (2E)-4-Bromo-2-butenoic acid ethyl ester
  • (E)-Ethyl 4-bromocrotonate
  • (E)-4-Bromo-2-butenoic acid ethyl ester
  • Ethyl (E)-4-bromobutenoate
  • (E)-4-Bromobut-2-enoic acid ethyl ester
  • (E)-Ethyl 4-bromobut-2-enoate
  • Ethyl trans-4-bromo-2-butenoate
  • trans-Ethyl 4-bromocrotonate
  • Ethyl (E)-4-bromocrotonate
  • Ethyl (2E)-4-bromobut-2-enoate

Work with Ethyl (E)-4-bromo-2-butenoate

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

Diethyl maleate141-05-965 % similar Diethyl fumarate623-91-665 % similar Ethyl trans-2-hexenoate27829-72-761 % similar Methyl 4-bromo-2-butenoate1117-71-160 % similar Methyl (2E)-4-bromo-2-butenoate6000-00-660 % similar Ethyl trans-crotonate623-70-159 % similar Ethyl 3-ethoxy-2-propenoate1001-26-957 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-957 % similar

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

Elsewhere

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