Ethyl 3-chloro-β-cyano-α-oxobenzenepropanoate

CAS Registry Number®

38747-02-3

CAS Name

Ethyl 3-chloro-β-cyano-α-oxobenzenepropanoate

Molecular Formula

C12H10ClNO3

Molecular Mass

251.67

Cite this Page

Ethyl 3-chloro-β-cyano-α-oxobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38747-02-3 (retrieved 2024-11-25) (CAS RN: 38747-02-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H10ClNO3/c1-2-17-12(16)11(15)10(7-14)8-4-3-5-9(13)6-8/h3-6,10H,2H2,1H3

InChIKey

InChIKey=QUFNXWLCJNRBFC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C(=O)C(=O)OCC)C=1C=CC=C(Cl)C1

Other Names for this Substance

  • Benzenepropanoic acid, 3-chloro-β-cyano-α-oxo-, ethyl ester
  • Ethyl 3-chloro-β-cyano-α-oxobenzenepropanoate

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