| CAS Number | 1267214-31-2 |
| Catalog Number | AG01BJ8Z |
| Chemical Name | 6,7-difluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 6,7-difluoro-2-methyl-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C9H7F2NO2/c1-4-9(13)12-7-2-5(10)6(11)3-8(7)14-4/h2-4H,1H3,(H,12,13) |
| InChI Key | LLYIMRVISUAHSD-UHFFFAOYSA-N |
| MDL Number | MFCD19375219 |
| Molecular Formula | C9H7F2NO2 |
| Molecular Weight | 199.1542 |
| SMILES | CC1C(=O)NC2=C(C=C(C(=C2)F)F)O1 |
| Synonyms | 6,7-difluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one,
1267214-31-2,
AKOS022468955,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.157g/mol |
| Monoisotopic Mass | 199.044g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number