| CAS Number | 923168-29-0 |
| Catalog Number | AG00GUGH |
| Chemical Name | 5-(2-chloroacetyl)-4-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one |
| IUPAC Name | 5-(2-chloroacetyl)-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one |
| InChI | InChI=1S/C12H10ClF3N2O2/c13-6-11(20)18-8-4-2-1-3-7(8)17-10(19)5-9(18)12(14,15)16/h1-4,9H,5-6H2,(H,17,19) |
| InChI Key | ABQWGXXZGDJLIX-UHFFFAOYSA-N |
| MDL Number | MFCD08691351 |
| Molecular Formula | C12H10ClF3N2O2 |
| Molecular Weight | 306.6682 |
| SMILES | O=C1NC2=CC=CC=C2N(C(CCl)=O)C(C(F)(F)F)C1 |
| Synonyms | 5-(chloroacetyl)-4-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one,
923168-29-0,
5-(2-chloroacetyl)-4-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one,
AC1Q4JIF,
CTK6H4957,
AKOS030739672,
MCULE-8067135546,
NE14011,
EN300-26459,
J-516308,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.669g/mol |
| Monoisotopic Mass | 306.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number