Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester

CAS Registry Number®

256935-85-0
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CAS Name

Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester

Molecular Formula

C8H7ClINO2

Molecular Mass

311.50

Cite this Page

Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=256935-85-0 (retrieved 2024-08-16) (CAS RN: 256935-85-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-157 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7ClINO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3

InChIKey

InChIKey=ACKIVQFMUDRNPN-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(Cl)C=C(N)C(I)=C1

Canonical SMILES

O=C(OC)C=1C=C(I)C(N)=CC1Cl

Other Names for this Substance

  • Benzoic acid, 4-amino-2-chloro-5-iodo-, methyl ester
  • Methyl 4-amino-2-chloro-5-iodobenzoate