| CAS Number | 1638664-70-6 |
| Catalog Number | AG01DTTF |
| Chemical Name | 3-(difluoromethyl)-5-(4-fluorophenyl)-1H-pyrazole |
| IUPAC Name | 5-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole |
| InChI | InChI=1S/C10H7F3N2/c11-7-3-1-6(2-4-7)8-5-9(10(12)13)15-14-8/h1-5,10H,(H,14,15) |
| InChI Key | QBTHTBWXILYYOE-UHFFFAOYSA-N |
| MDL Number | MFCD31802209 |
| Molecular Formula | C10H7F3N2 |
| Molecular Weight | 212.1712 |
| SMILES | FC(F)c1cc([nH]n1)-c1ccc(F)cc1 |
| Synonyms | 3-(Difluoromethyl)-5-(4-fluorophenyl)-1H-pyrazole,
1638664-70-6,
SCHEMBL17686758,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.175g/mol |
| Monoisotopic Mass | 212.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number