| CAS Number | 80452-55-7 |
| Catalog Number | AG01DJMB(AGN-PC-00L2DK) |
| Chemical Name | 7-Chloro-3,4-dihydro-1h-benzo[b]azepine-2,5-dione |
| IUPAC Name | 7-chloro-3,4-dihydro-1H-1-benzazepine-2,5-dione |
| InChI | InChI=1S/C10H8ClNO2/c11-6-1-2-8-7(5-6)9(13)3-4-10(14)12-8/h1-2,5H,3-4H2,(H,12,14) |
| InChI Key | YRUGIDNPYWLNBV-UHFFFAOYSA-N |
| MDL Number | MFCD15142749 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | ClC1=CC2=C(NC(CCC2=O)=O)C=C1 |
| Synonyms | 80452-55-7,
1H-1-Benzazepine-2,5-dione, 7-chloro-3,4-dihydro-,
SCHEMBL1184405,
7-chloro-3,4-dihydro-1h-benzo[b]azepine-2,5-dione,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number