4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid

CAS Registry Number®

1199773-70-0
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CAS Name

4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid

Molecular Formula

C11H8BrNO3

Molecular Mass

282.09

Cite this Page

4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1199773-70-0 (retrieved 2024-09-09) (CAS RN: 1199773-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H8BrNO3/c12-6-9-5-10(13-16-9)7-1-3-8(4-2-7)11(14)15/h1-5H,6H2,(H,14,15)

InChIKey

InChIKey=YVSLGPKGGZJGER-UHFFFAOYSA-N

SMILES

C(Br)C1=CC(=NO1)C2=CC=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C=1C=CC(=CC1)C2=NOC(=C2)CBr

Other Names for this Substance

  • Benzoic acid, 4-[5-(bromomethyl)-3-isoxazolyl]-
  • 4-[5-(Bromomethyl)-3-isoxazolyl]benzoic acid