2-Nitro-5-thiocyanatobenzoic acid

CAS Registry Number®

30211-77-9

CAS Name

2-Nitro-5-thiocyanatobenzoic acid

Molecular Formula

C8H4N2O4S

Molecular Mass

224.19

Cite this Page

2-Nitro-5-thiocyanatobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30211-77-9 (retrieved 2024-11-22) (CAS RN: 30211-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)

InChIKey

InChIKey=NQUNIMFHIWQQGJ-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(N(=O)=O)C=CC(SC#N)=C1

Canonical SMILES

N#CSC1=CC=C(C(=C1)C(=O)O)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-nitro-5-thiocyanato-
  • 2-Nitro-5-thiocyanatobenzoic acid

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