4-Iodo-3-(methoxycarbonyl)-1H-pyrazole-1-acetic acid

CAS Registry Number®

1354705-49-9
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CAS Name

4-Iodo-3-(methoxycarbonyl)-1H-pyrazole-1-acetic acid

Molecular Formula

C7H7IN2O4

Molecular Mass

310.05

Cite this Page

4-Iodo-3-(methoxycarbonyl)-1H-pyrazole-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1354705-49-9 (retrieved 2024-07-08) (CAS RN: 1354705-49-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H7IN2O4/c1-14-7(13)6-4(8)2-10(9-6)3-5(11)12/h2H,3H2,1H3,(H,11,12)

InChIKey

InChIKey=YBXHTNNCGSTQKW-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C(I)=CN(CC(O)=O)N1

Canonical SMILES

O=C(OC)C1=NN(C=C1I)CC(=O)O

Other Names for this Substance

  • 1H-Pyrazole-1-acetic acid, 4-iodo-3-(methoxycarbonyl)-
  • 4-Iodo-3-(methoxycarbonyl)-1H-pyrazole-1-acetic acid