3-Bromo-5-phenoxy-1H-1,2,4-triazole-1-acetic acid

CAS Registry Number®

1807979-68-5

CAS Name

3-Bromo-5-phenoxy-1H-1,2,4-triazole-1-acetic acid

Molecular Formula

C10H8BrN3O3

Molecular Mass

298.09

Cite this Page

3-Bromo-5-phenoxy-1H-1,2,4-triazole-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1807979-68-5 (retrieved 2024-11-25) (CAS RN: 1807979-68-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H8BrN3O3/c11-9-12-10(14(13-9)6-8(15)16)17-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)

InChIKey

InChIKey=MCCLZBSSNBPJJY-UHFFFAOYSA-N

SMILES

O(C=1N(CC(O)=O)N=C(Br)N1)C2=CC=CC=C2

Canonical SMILES

O=C(O)CN1N=C(Br)N=C1OC=2C=CC=CC2

Other Names for this Substance

  • 1H-1,2,4-Triazole-1-acetic acid, 3-bromo-5-phenoxy-
  • 3-Bromo-5-phenoxy-1H-1,2,4-triazole-1-acetic acid

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