| CAS Number | 2105567-91-5 |
| Catalog Number | AG01EJO4 |
| Chemical Name | 1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-4-amine |
| IUPAC Name | 1-(2,2-difluoroethyl)-5-methylpyrazol-4-amine |
| InChI | InChI=1S/C6H9F2N3/c1-4-5(9)2-10-11(4)3-6(7)8/h2,6H,3,9H2,1H3 |
| InChI Key | NXYUNDYUMQKKNU-UHFFFAOYSA-N |
| MDL Number | MFCD31461411 |
| Molecular Formula | C6H9F2N3 |
| Molecular Weight | 161.1526 |
| SMILES | CC1N(CC(F)F)N=CC=1N |
| Synonyms | 1-(2,2-Difluoroethyl)-5-methyl-1H-pyrazol-4-amine,
2105567-91-5,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.076454g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.15g/mol |
| Monoisotopic Mass | 161.076454g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number