4-Cyano-2,6-diiodophenyl butanoate

CAS Registry Number®

71412-25-4

CAS Name

4-Cyano-2,6-diiodophenyl butanoate

Molecular Formula

C11H9I2NO2

Molecular Mass

441.00

Cite this Page

4-Cyano-2,6-diiodophenyl butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71412-25-4 (retrieved 2024-12-23) (CAS RN: 71412-25-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H9I2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3

InChIKey

InChIKey=AKKGPRGLGMMLBJ-UHFFFAOYSA-N

SMILES

O(C(CCC)=O)C1=C(I)C=C(C#N)C=C1I

Canonical SMILES

N#CC1=CC(I)=C(OC(=O)CCC)C(I)=C1

Other Names for this Substance

  • Butanoic acid, 4-cyano-2,6-diiodophenyl ester
  • 4-Cyano-2,6-diiodophenyl butanoate
  • 4-Cyano-2,6-diiodophenyl butyrate

Deleted or Replaced CAS Registry Numbers

124569-40-0