4-(4-Acetyl-1-piperazinyl)-3-iodobenzoic acid

CAS Registry Number®

1131614-95-3

CAS Name

4-(4-Acetyl-1-piperazinyl)-3-iodobenzoic acid

Molecular Formula

C13H15IN2O3

Molecular Mass

374.17

Cite this Page

4-(4-Acetyl-1-piperazinyl)-3-iodobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131614-95-3 (retrieved 2025-01-07) (CAS RN: 1131614-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15IN2O3/c1-9(17)15-4-6-16(7-5-15)12-3-2-10(13(18)19)8-11(12)14/h2-3,8H,4-7H2,1H3,(H,18,19)

InChIKey

InChIKey=QFJDQPFSPUSIGE-UHFFFAOYSA-N

SMILES

IC1=C(C=CC(C(O)=O)=C1)N2CCN(C(C)=O)CC2

Canonical SMILES

O=C(O)C1=CC=C(C(I)=C1)N2CCN(C(=O)C)CC2

Other Names for this Substance

  • Benzoic acid, 4-(4-acetyl-1-piperazinyl)-3-iodo-
  • 4-(4-Acetyl-1-piperazinyl)-3-iodobenzoic acid

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