| CAS Number | 899452-34-7 |
| Catalog Number | AG01BBLQ(AGN-PC-03XZAI) |
| Chemical Name | 1-(difluoromethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-(difluoromethyl)pyridin-2-one |
| InChI | InChI=1S/C6H5F2NO/c7-6(8)9-4-2-1-3-5(9)10/h1-4,6H |
| InChI Key | DEYHNOZVCPVIQL-UHFFFAOYSA-N |
| MDL Number | MFCD18089158 |
| Molecular Formula | C6H5F2NO |
| Molecular Weight | 145.1068 |
| SMILES | FC(N1C(=O)C=CC=C1)F |
| Synonyms | 1-(difluoromethyl)-1,2-dihydropyridin-2-one,
899452-34-7,
SCHEMBL10587078,
ZINC57354540,
AKOS016655314,
n-difluoromethyl-1,2-dihydropyrid-2-one,
2(1H)-Pyridinone, 1-(difluoromethyl)-,
Z2108806984,
2(1H)-Pyridinone,1-(difluoromethyl)-,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.109g/mol |
| Monoisotopic Mass | 145.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number