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

CAS Registry Number®

1131594-42-7
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CAS Name

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

Molecular Formula

C13H16BrNO2

Molecular Mass

298.18

Cite this Page

3-Bromo-4-(1-piperidinylmethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131594-42-7 (retrieved 2024-08-07) (CAS RN: 1131594-42-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16BrNO2/c14-12-8-10(13(16)17)4-5-11(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17)

InChIKey

InChIKey=PWTNIWCXIMDXKI-UHFFFAOYSA-N

SMILES

C(C1=C(Br)C=C(C(O)=O)C=C1)N2CCCCC2

Canonical SMILES

O=C(O)C1=CC=C(C(Br)=C1)CN2CCCCC2

Other Names for this Substance

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