| CAS Number | 1644602-68-5 |
| Catalog Number | AG00IT1R(AGN-PC-0WB0PA) |
| Chemical Name | 1-([3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl)-1h-pyrazol-4-amine |
| IUPAC Name | 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]pyrazol-4-amine |
| InChI | InChI=1S/C10H8ClF3N4/c11-8-1-6(10(12,13)14)2-16-9(8)5-18-4-7(15)3-17-18/h1-4H,5,15H2 |
| InChI Key | PRADFNJNLJEPON-UHFFFAOYSA-N |
| MDL Number | MFCD28347882 |
| Molecular Formula | C10H8ClF3N4 |
| Molecular Weight | 276.6455 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)CN2(N=CC(=C2)N)) |
| Synonyms | 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazol-4-amine,
1644602-68-5,
KS-00001Q8V,
AKOS026675381,
ZINC169798493,
LB-5002,
PC210076,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.647g/mol |
| Monoisotopic Mass | 276.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number