| CAS Number | 1310350-99-2 |
| Catalog Number | AG009JDX(AGN-PC-0WO8YI) |
| Chemical Name | 4-Chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-chloro-1-(difluoromethyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C5H3ClF2N2O2/c6-2-1-10(5(7)8)9-3(2)4(11)12/h1,5H,(H,11,12) |
| InChI Key | CJHLWLUPTLVMPW-UHFFFAOYSA-N |
| MDL Number | MFCD03420212 |
| Molecular Formula | C5H3ClF2N2O2 |
| Molecular Weight | 196.5393 |
| SMILES | OC(C1C(Cl)=CN(C(F)F)N=1)=O |
| Synonyms | 4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid,
1310350-99-2,
SCHEMBL569263,
CJHLWLUPTLVMPW-UHFFFAOYSA-N,
ZINC6328498,
MFCD03420212,
AKOS026728971,
MCULE-7455181887,
NE47221,
AK341447,
AS-36635,
FT-0744071,
4-Chloro-1-difluoromethyl-1H-pyrazole-3-carboxylic acid,
Z1768428794,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.538g/mol |
| Monoisotopic Mass | 195.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number