| CAS Number | 209985-28-4 |
| Catalog Number | AG00C3IY(AGN-PC-0QX0FB) |
| Chemical Name | (R,S)-Z-3-Amino-7-chloro-5-(2-chlorophenyl)-2-oxo-1,4-benzodiazepine |
| IUPAC Name | 3-amino-7-chloro-5-(2-chlorophenyl)-1,4-benzodiazepin-2-one |
| InChI | InChI=1S/C15H9Cl2N3O/c16-8-5-6-12-10(7-8)13(20-14(18)15(21)19-12)9-3-1-2-4-11(9)17/h1-7H,(H2,18,19,20,21) |
| InChI Key | LCFWIXDQYIEZIK-UHFFFAOYSA-N |
| MDL Number | MFCD01632026 |
| Molecular Formula | C23H17Cl2N3O3 |
| Molecular Weight | 454.3054 |
| SMILES | O=C(NC1N=C(c2c(NC1=O)ccc(c2)Cl)c1ccccc1Cl)OCc1ccccc1 |
| Synonyms | 209985-28-4,
ZINC228968575,
SC-30496,
(R,S)-Z-3-AMINO-7-CHLORO-5-(2-CHLOROPHENYL)-2-OXO-,
(R,S)-Z-3-AMINO-7-CHLORO-5-(2-CHLOROPHENYL)-2-OXO-1,4-BENZODIAZEPINE,
|
| Complexity | 643 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.157g/mol |
| Monoisotopic Mass | 317.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number