3-Bromo-4-(1-piperazinylmethyl)benzoic acid

CAS Registry Number®

1131594-48-3

CAS Name

3-Bromo-4-(1-piperazinylmethyl)benzoic acid

Molecular Formula

C12H15BrN2O2

Molecular Mass

299.16

Cite this Page

3-Bromo-4-(1-piperazinylmethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131594-48-3 (retrieved 2024-11-25) (CAS RN: 1131594-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15BrN2O2/c13-11-7-9(12(16)17)1-2-10(11)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2,(H,16,17)

InChIKey

InChIKey=QXRMCMZLCFDZCH-UHFFFAOYSA-N

SMILES

C(C1=C(Br)C=C(C(O)=O)C=C1)N2CCNCC2

Canonical SMILES

O=C(O)C1=CC=C(C(Br)=C1)CN2CCNCC2

Other Names for this Substance

  • Benzoic acid, 3-bromo-4-(1-piperazinylmethyl)-
  • 3-Bromo-4-(1-piperazinylmethyl)benzoic acid

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