| CAS Number | 863669-63-0 |
| Catalog Number | AG019OKH |
| Chemical Name | 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea |
| IUPAC Name | 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide |
| InChI | InChI=1S/C12H13ClN2O4/c13-7-11(16)15-12(17)14-8-2-3-9-10(6-8)19-5-1-4-18-9/h2-3,6H,1,4-5,7H2,(H2,14,15,16,17) |
| InChI Key | MONUWPFXMLUCMS-UHFFFAOYSA-N |
| MDL Number | MFCD07339184 |
| Molecular Formula | C12H13ClN2O4 |
| Molecular Weight | 284.6956 |
| SMILES | ClCC(NC(NC1=CC2=C(OCCCO2)C=C1)=O)=O |
| Synonyms | 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea,
863669-63-0,
2-chloro-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)carbonyl]acetamide,
AC1OFJRE,
AC1Q3TGY,
CTK6H5202,
ZINC4218208,
AKOS009020776,
MCULE-1692038180,
NE26694,
EN300-14283,
2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide,
ZINC04218208,
CID7130654,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.696g/mol |
| Monoisotopic Mass | 284.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number