3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid

CAS Registry Number®

1131614-68-0
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CAS Name

3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid

Molecular Formula

C12H15IN2O2

Molecular Mass

346.16

Cite this Page

3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131614-68-0 (retrieved 2024-09-09) (CAS RN: 1131614-68-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15IN2O2/c1-14-4-6-15(7-5-14)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17)

InChIKey

InChIKey=GYBAYCQDHTUNAO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-iodo-4-(4-methyl-1-piperazinyl)-
  • 3-Iodo-4-(4-methyl-1-piperazinyl)benzoic acid