| CAS Number | 930395-68-9 |
| Catalog Number | AG019POW |
| Chemical Name | 2-Chloro-N-(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide |
| IUPAC Name | 2-chloro-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide |
| InChI | InChI=1S/C11H11Cl2NO3/c12-6-11(15)14-8-5-10-9(4-7(8)13)16-2-1-3-17-10/h4-5H,1-3,6H2,(H,14,15) |
| InChI Key | JGDWWKNQQXJVIA-UHFFFAOYSA-N |
| MDL Number | MFCD09388780 |
| Molecular Formula | C11H11Cl2NO3 |
| Molecular Weight | 276.1159 |
| SMILES | ClCC(NC1=C(Cl)C=C2C(OCCCO2)=C1)=O |
| Synonyms | 2-chloro-N-(8-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide,
930395-68-9,
AC1Q3TIT,
CTK6H5428,
ZINC12505019,
AKOS000118084,
MCULE-9118806204,
NE21880,
UPCMLD0ENAT5878230:001,
EN300-24612,
Z235361359,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.113g/mol |
| Monoisotopic Mass | 275.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number