| CAS Number | 1603237-94-0 |
| Catalog Number | AG01BAX1 |
| Chemical Name | 3-chloro-1-(difluoromethyl)-1,2-dihydropyrazin-2-one |
| IUPAC Name | 3-chloro-1-(difluoromethyl)pyrazin-2-one |
| InChI | InChI=1S/C5H3ClF2N2O/c6-3-4(11)10(5(7)8)2-1-9-3/h1-2,5H |
| InChI Key | XMRFDVAMBVVXGQ-UHFFFAOYSA-N |
| MDL Number | MFCD28397768 |
| Molecular Formula | C5H3ClF2N2O |
| Molecular Weight | 180.5399 |
| SMILES | FC(N1C(=O)C(Cl)=NC=C1)F |
| Synonyms | 1603237-94-0,
3-Chloro-1-(difluoromethyl)pyrazin-2(1H)-one,
3-chloro-1-(difluoromethyl)-1,2-dihydropyrazin-2-one,
ZINC165093986,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.539g/mol |
| Monoisotopic Mass | 179.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number