| CAS Number | 1523391-72-1 |
| Catalog Number | AG01AFWW(AGN-PC-0WO5QS) |
| Chemical Name | 2-(2,3-Dihydro-1-benzofuran-5-yl)ethane-1-sulfonyl chloride |
| IUPAC Name | 2-(2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride |
| InChI | InChI=1S/C10H11ClO3S/c11-15(12,13)6-4-8-1-2-10-9(7-8)3-5-14-10/h1-2,7H,3-6H2 |
| InChI Key | QSMPCCSLJVXVBY-UHFFFAOYSA-N |
| MDL Number | MFCD21235688 |
| Molecular Formula | C10H11ClO3S |
| Molecular Weight | 246.7105 |
| SMILES | ClS(CCC1=CC2=C(OCC2)C=C1)(=O)=O |
| Synonyms | 2-(2,3-dihydro-1-benzofuran-5-yl)ethane-1-sulfonyl chloride,
1523391-72-1,
AKOS014767590,
ZINC100502693,
NE20354,
Z1962166080,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.705g/mol |
| Monoisotopic Mass | 246.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number