| CAS Number | 1342293-12-2 |
| Catalog Number | AG01A59M |
| Chemical Name | 7-chloro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| IUPAC Name | 6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide |
| InChI | InChI=1S/C8H8ClNO4S/c9-5-3-6-7(14-2-1-13-6)4-8(5)15(10,11)12/h3-4H,1-2H2,(H2,10,11,12) |
| InChI Key | KUMAYJVVXGDCDO-UHFFFAOYSA-N |
| MDL Number | MFCD18841925 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | NS(C1=C(Cl)C=C2C(OCCO2)=C1)(=O)=O |
| Synonyms | 7-chloro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide,
1342293-12-2,
ZINC84614533,
AKOS012192492,
NE40392,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.665g/mol |
| Monoisotopic Mass | 248.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number