| CAS Number | 1340394-63-9 |
| Catalog Number | AG01BU0S |
| Chemical Name | 7-chloro-5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 7-chloro-5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C6H3ClF2N4/c7-4-1-3(5(8)9)12-6-10-2-11-13(4)6/h1-2,5H |
| InChI Key | YNOBRAHBVJGIGH-UHFFFAOYSA-N |
| MDL Number | MFCD17240897 |
| Molecular Formula | C6H3ClF2N4 |
| Molecular Weight | 204.5646 |
| SMILES | ClC1=CC(=NC=2N1N=CN2)C(F)F |
| Synonyms | 7-chloro-5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine,
1340394-63-9,
SCHEMBL18358261,
ZINC61630017,
AKOS012186912,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.565g/mol |
| Monoisotopic Mass | 204.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number