| CAS Number | 1334499-55-6 |
| Catalog Number | AG00HSXE(AGN-PC-0WCMQI) |
| Chemical Name | 9-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE |
| IUPAC Name | 9-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| InChI | InChI=1S/C9H7ClN2O2/c10-6-3-1-2-5-8(6)12-7(13)4-11-9(5)14/h1-3H,4H2,(H,11,14)(H,12,13) |
| InChI Key | PUDRJONOIGUBCU-UHFFFAOYSA-N |
| MDL Number | MFCD20261473 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | ClC1=C2NC(=O)CNC(=O)C2=CC=C1 |
| Synonyms | 9-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE,
1334499-55-6,
9-Chloro-3,4-dihydro-1H-benzo-[e][1,4]diazepine-2,5-dione,
MFCD20261473,
ZINC91691669,
FCH1416785,
AS-37248,
AX8266769,
X-2565,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number