| CAS Number | 1803588-04-6 |
| Catalog Number | AG01B9J9 |
| Chemical Name | 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethane-1-sulfonyl chloride |
| IUPAC Name | 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethanesulfonyl chloride |
| InChI | InChI=1S/C12H12ClNO5S/c13-20(17,18)8-7-19-6-5-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2 |
| InChI Key | GDSNVUOBVGDVHB-UHFFFAOYSA-N |
| MDL Number | MFCD28505698 |
| Molecular Formula | C12H12ClNO5S |
| Molecular Weight | 317.7454 |
| SMILES | ClS(CCOCCN1C(=O)C2=C(C=CC=C2)C1=O)(=O)=O |
| Synonyms | 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethane-1-sulfonyl chloride,
1803588-04-6,
ZINC238852450,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.74g/mol |
| Monoisotopic Mass | 317.012g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number