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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6F2N2O2
Molecular Weight 176.1208
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

SMILES

CN1C=C(C(O)=O)C(=N1)C(F)F

InChI

InChIKey=RLOHOBNEYHBZID-UHFFFAOYSA-N
InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C6H6F2N2O2
Molecular Weight 176.1208
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:44:58 GMT 2023
Edited
by admin
on Sat Dec 16 08:44:58 GMT 2023
Record UNII
20527OAN56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Systematic Name English
3-DIFLUOROMETHYL-1-METHYL-1H-PYRAZOL-4-CARBOXYLIC ACID
Systematic Name English
3-DIFLUOROMETHYL-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80597105
Created by admin on Sat Dec 16 08:44:58 GMT 2023 , Edited by admin on Sat Dec 16 08:44:58 GMT 2023
PRIMARY
CAS
176969-34-9
Created by admin on Sat Dec 16 08:44:58 GMT 2023 , Edited by admin on Sat Dec 16 08:44:58 GMT 2023
PRIMARY
PUBCHEM
18983008
Created by admin on Sat Dec 16 08:44:58 GMT 2023 , Edited by admin on Sat Dec 16 08:44:58 GMT 2023
PRIMARY
FDA UNII
20527OAN56
Created by admin on Sat Dec 16 08:44:58 GMT 2023 , Edited by admin on Sat Dec 16 08:44:58 GMT 2023
PRIMARY