| CAS Number | 459191-31-2 |
| Catalog Number | AG019U0G(AGN-PC-0WO6IW) |
| Chemical Name | 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 8-amino-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C9H7F3N2O2/c10-9(11,12)4-1-5(13)8-6(2-4)14-7(15)3-16-8/h1-2H,3,13H2,(H,14,15) |
| InChI Key | TWGPRVZKUXCWRK-UHFFFAOYSA-N |
| MDL Number | MFCD02976976 |
| Molecular Formula | C9H7F3N2O2 |
| Molecular Weight | 232.1593 |
| SMILES | NC1=C2C(NC(CO2)=O)=CC(C(F)(F)F)=C1 |
| Synonyms | 8-amino-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one,
459191-31-2,
8-amino-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one,
Enamine_004834,
AC1MT8TT,
CTK7H4476,
HMS1407L16,
ZINC4371906,
AKOS000126894,
MCULE-2613262083,
NE36419,
SR-01000038487,
SR-01000038487-1,
8-amino-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one,
F3110-0129,
ZINC04371906,
CID3596762,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.162g/mol |
| Monoisotopic Mass | 232.046g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number