| CAS Number | 141282-26-0 |
| Catalog Number | AG00HVZK(AGN-PC-0PQKFR) |
| Chemical Name | 1H-Isoindole-1,3(2H)-dione,2-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethyl]- |
| IUPAC Name | 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C19H19NO6S/c1-14-6-8-15(9-7-14)27(23,24)26-13-12-25-11-10-20-18(21)16-4-2-3-5-17(16)19(20)22/h2-9H,10-13H2,1H3 |
| InChI Key | QOLSFSQNQNPHJT-UHFFFAOYSA-N |
| MDL Number | MFCD29764398 |
| Molecular Formula | C19H19NO6S |
| Molecular Weight | 389.4223 |
| SMILES | O=C1N(CCOCCOS(=O)(=O)c2ccc(cc2)C)C(=O)c2c1cccc2 |
| Synonyms | 2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]ethyl 4-methylbenzenesulfonate,
141282-26-0,
ZINC390824799,
2-[2-[2-(Tosyloxy)ethoxy]ethyl]isoindoline-1,3-dione,
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| Complexity | 611 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.422g/mol |
| Monoisotopic Mass | 389.093g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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