6-Chloro-4-oxo-1,2,3-benzotriazine-3(4H)-acetic acid

CAS Registry Number®

97609-02-4
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CAS Name

6-Chloro-4-oxo-1,2,3-benzotriazine-3(4H)-acetic acid

Molecular Formula

C9H6ClN3O3

Molecular Mass

239.62

Cite this Page

6-Chloro-4-oxo-1,2,3-benzotriazine-3(4H)-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97609-02-4 (retrieved 2024-08-11) (CAS RN: 97609-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H6ClN3O3/c10-5-1-2-7-6(3-5)9(16)13(12-11-7)4-8(14)15/h1-3H,4H2,(H,14,15)

InChIKey

InChIKey=WZNQDQCCAOSQLM-UHFFFAOYSA-N

SMILES

O=C1C=2C(N=NN1CC(O)=O)=CC=C(Cl)C2

Canonical SMILES

O=C(O)CN1N=NC=2C=CC(Cl)=CC2C1=O

Other Names for this Substance

  • 1,2,3-Benzotriazine-3(4H)-acetic acid, 6-chloro-4-oxo-
  • 6-Chloro-4-oxo-1,2,3-benzotriazine-3(4H)-acetic acid
  • 2-(6-Chloro-4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetic acid