3-Bromo-4-pentylbenzoic acid

CAS Registry Number®

1131615-13-8

CAS Name

3-Bromo-4-pentylbenzoic acid

Molecular Formula

C12H15BrO2

Molecular Mass

271.15

Cite this Page

3-Bromo-4-pentylbenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1131615-13-8 (retrieved 2025-01-07) (CAS RN: 1131615-13-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15BrO2/c1-2-3-4-5-9-6-7-10(12(14)15)8-11(9)13/h6-8H,2-5H2,1H3,(H,14,15)

InChIKey

InChIKey=MQFNWGDNZJKUFZ-UHFFFAOYSA-N

SMILES

C(CCCC)C1=C(Br)C=C(C(O)=O)C=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-bromo-4-pentyl-
  • 3-Bromo-4-pentylbenzoic acid

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