3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid

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Systematic / IUPAC Name:

ID: Reference13641

Other Names: 3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid;
AA-2543

Formula: C5H4F2N2O2

Class: Pesticides/Herbicides

Spectral Data

3-(Difluoromethyl)-1H-pyrazole-4-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 254
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 11/21/2025 11:13:52 AM
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Identificators

InChI InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)
InChI Key IGQNDARULCASRN-UHFFFAOYSA-N
Canonical SMILES O=C(O)c1c[nH]nc1C(F)F
CAS
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Other Names 3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid;
AA-2543

In Other Databases

ChemSpider 14393850
PubChem 19754697