4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid

CAS Registry Number®

1004644-64-7
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CAS Name

4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid

Molecular Formula

C6H6ClN3O4

Molecular Mass

219.58

Cite this Page

4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1004644-64-7 (retrieved 2024-08-25) (CAS RN: 1004644-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H6ClN3O4/c7-4-3-9(2-1-5(11)12)8-6(4)10(13)14/h3H,1-2H2,(H,11,12)

InChIKey

InChIKey=FSXPGXHGUGQSMX-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=NN(CCC(O)=O)C=C1Cl

Canonical SMILES

O=C(O)CCN1N=C(C(Cl)=C1)N(=O)=O

Other Names for this Substance

  • 1H-Pyrazole-1-propanoic acid, 4-chloro-3-nitro-
  • 4-Chloro-3-nitro-1H-pyrazole-1-propanoic acid