Benzoic acid, 3-iodo-5-nitro-, ethyl ester

CAS Registry Number®

850864-49-2

CAS Name

Benzoic acid, 3-iodo-5-nitro-, ethyl ester

Molecular Formula

C9H8INO4

Molecular Mass

321.07

Cite this Page

Benzoic acid, 3-iodo-5-nitro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=850864-49-2 (retrieved 2024-11-25) (CAS RN: 850864-49-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8INO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3

InChIKey

InChIKey=FWLQRGJGXWXGPW-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(N(=O)=O)=CC(I)=C1

Canonical SMILES

O=C(OCC)C1=CC(I)=CC(=C1)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 3-iodo-5-nitro-, ethyl ester
  • Ethyl 3-iodo-5-nitrobenzoate

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