| CAS Number | 1823745-96-5 |
| Catalog Number | AG01A3CG(AGN-PC-0WO1HQ) |
| Chemical Name | 1,3-bis(difluoromethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1,3-bis(difluoromethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C6H4F4N2O2/c7-4(8)3-2(5(13)14)1-12(11-3)6(9)10/h1,4,6H,(H,13,14) |
| InChI Key | ZTYIAENWCNQZGI-UHFFFAOYSA-N |
| MDL Number | MFCD28132507 |
| Molecular Formula | C6H4F4N2O2 |
| Molecular Weight | 212.1018 |
| SMILES | OC(C1C(C(F)F)=NN(C(F)F)C=1)=O |
| Synonyms | 1,3-bis(difluoromethyl)-1H-pyrazole-4-carboxylic acid,
1823745-96-5,
SCHEMBL8784291,
AKOS026726564,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.104g/mol |
| Monoisotopic Mass | 212.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number