| CAS Number | 1239737-39-3 |
| Catalog Number | AG00VT4S(AGN-PC-0WBKGK) |
| Chemical Name | 5-(difluoromethoxy)-1-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 5-(difluoromethoxy)-1-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C6H6F2N2O3/c1-10-4(13-6(7)8)2-3(9-10)5(11)12/h2,6H,1H3,(H,11,12) |
| InChI Key | LPRQZRAJIVPWFO-UHFFFAOYSA-N |
| MDL Number | MFCD16547220 |
| Molecular Formula | C6H6F2N2O3 |
| Molecular Weight | 192.1202 |
| SMILES | CN1C(OC(F)F)=CC(C(O)=O)=N1 |
| Synonyms | 5-(difluoromethoxy)-1-methyl-1H-pyrazole-3-carboxylic acid,
1239737-39-3,
SCHEMBL15881998,
LPRQZRAJIVPWFO-UHFFFAOYSA-N,
ZINC45929915,
AKOS026726523,
MCULE-1709090552,
NE15978,
NS-01819,
Z1696871280,
5-Difluoromethoxy-1-methyl-1H-pyrazole-3-carboxylic acid,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.122g/mol |
| Monoisotopic Mass | 192.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number