| CAS Number | 1333780-86-1 |
| Catalog Number | AG01AKEO |
| Chemical Name | 8-Fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one |
| IUPAC Name | 7-fluoro-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one |
| InChI | InChI=1S/C10H11FN2O/c1-13-5-4-10(14)12-8-6-7(11)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,12,14) |
| InChI Key | DFBCXCZXBWSZDV-UHFFFAOYSA-N |
| MDL Number | MFCD19982560 |
| Molecular Formula | C10H11FN2O |
| Molecular Weight | 194.2055 |
| SMILES | CN1C2=C(C=C(C=C2)F)NC(=O)CC1 |
| Synonyms | 8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one,
1333780-86-1,
ZINC68577458,
AKOS017508407,
MCULE-8150372281,
NE40770,
EN300-83884,
Z1255523295,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.209g/mol |
| Monoisotopic Mass | 194.086g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number