| CAS Number | 1517344-87-4 |
| Catalog Number | AG01DEVQ |
| Chemical Name | 2,2-Dimethyl-6-(trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one |
| IUPAC Name | 2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C11H10F3NO2/c1-10(2)9(16)15-7-5-6(11(12,13)14)3-4-8(7)17-10/h3-5H,1-2H3,(H,15,16) |
| InChI Key | KVGQIRCTCZFWNN-UHFFFAOYSA-N |
| MDL Number | MFCD26684824 |
| Molecular Formula | C11H10F3NO2 |
| Molecular Weight | 245.1978 |
| SMILES | CC1(C(=O)NC2=C(C=CC(C(F)(F)F)=C2)O1)C |
| Synonyms | 2,2-Dimethyl-6-(trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one,
1517344-87-4,
ZINC75883238,
AKOS023111834,
SY048120,
MFCD26684824 (95%),
Z2830704551,
2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.201g/mol |
| Monoisotopic Mass | 245.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number