| CAS Number | 923716-62-5 |
| Catalog Number | AG019PXK |
| Chemical Name | 3-(azepane-1-sulfonyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(azepan-1-ylsulfonyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C12H16ClNO4S2/c13-19(15,16)11-6-5-7-12(10-11)20(17,18)14-8-3-1-2-4-9-14/h5-7,10H,1-4,8-9H2 |
| InChI Key | HNDYNMXDKGPIJL-UHFFFAOYSA-N |
| MDL Number | MFCD08444778 |
| Molecular Formula | C12H16ClNO4S2 |
| Molecular Weight | 337.8427 |
| SMILES | ClS(C1=CC(S(N2CCCCCC2)(=O)=O)=CC=C1)(=O)=O |
| Synonyms | 3-(azepane-1-sulfonyl)benzene-1-sulfonyl chloride,
3-(azepan-1-ylsulfonyl)benzenesulfonyl chloride,
923716-62-5,
AC1Q3VK8,
CTK7I2018,
AKOS009113734,
ZINC100641868,
NE38949,
EN300-86675,
3-(azepan-1-ylsulfonyl)benzene-1-sulfonyl chloride,
|
| Complexity | 513 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.833g/mol |
| Monoisotopic Mass | 337.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number