Ethyl 4-bromo-β-cyano-α-oxobenzenepropanoate

CAS Registry Number®

104997-51-5

CAS Name

Ethyl 4-bromo-β-cyano-α-oxobenzenepropanoate

Molecular Formula

C12H10BrNO3

Molecular Mass

296.12

Cite this Page

Ethyl 4-bromo-β-cyano-α-oxobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104997-51-5 (retrieved 2024-12-01) (CAS RN: 104997-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H10BrNO3/c1-2-17-12(16)11(15)10(7-14)8-3-5-9(13)6-4-8/h3-6,10H,2H2,1H3

InChIKey

InChIKey=QWPZOLIIUOAEFZ-UHFFFAOYSA-N

SMILES

C(C(C(OCC)=O)=O)(C#N)C1=CC=C(Br)C=C1

Canonical SMILES

N#CC(C(=O)C(=O)OCC)C1=CC=C(Br)C=C1

Other Names for this Substance

  • Benzenepropanoic acid, 4-bromo-β-cyano-α-oxo-, ethyl ester
  • Pyruvic acid, (p-bromophenyl)cyano-, ethyl ester
  • Ethyl 4-bromo-β-cyano-α-oxobenzenepropanoate