3-Bromo-4-(3-methyl-1-piperidinyl)benzoic acid

CAS Registry Number®

1131622-53-1

CAS Name

3-Bromo-4-(3-methyl-1-piperidinyl)benzoic acid

Molecular Formula

C13H16BrNO2

Molecular Mass

298.18

Cite this Page

3-Bromo-4-(3-methyl-1-piperidinyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131622-53-1 (retrieved 2024-11-08) (CAS RN: 1131622-53-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16BrNO2/c1-9-3-2-6-15(8-9)12-5-4-10(13(16)17)7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)

InChIKey

InChIKey=VKBVRCPGRKIKKT-UHFFFAOYSA-N

SMILES

BrC1=C(N2CC(C)CCC2)C=CC(C(O)=O)=C1

Canonical SMILES

O=C(O)C1=CC=C(C(Br)=C1)N2CCCC(C)C2

Other Names for this Substance

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

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