4-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

CAS Registry Number®

491831-83-5

CAS Name

4-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

Molecular Formula

C12H10ClN3O4

Molecular Mass

295.68

Cite this Page

4-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=491831-83-5 (retrieved 2024-12-23) (CAS RN: 491831-83-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H10ClN3O4/c1-7-10(13)11(16(19)20)14-15(7)6-8-2-4-9(5-3-8)12(17)18/h2-5H,6H2,1H3,(H,17,18)

InChIKey

InChIKey=RPDSHNBIFOPINO-UHFFFAOYSA-N

SMILES

C(N1N=C(N(=O)=O)C(Cl)=C1C)C2=CC=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CN2N=C(C(Cl)=C2C)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-
  • 4-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

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