| CAS Number | 1189378-81-1 |
| Catalog Number | AG01A4R6 |
| Chemical Name | 1,3-Dihydroisobenzofuran-5-sulfonamide |
| IUPAC Name | 1,3-dihydro-2-benzofuran-5-sulfonamide |
| InChI | InChI=1S/C8H9NO3S/c9-13(10,11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2,(H2,9,10,11) |
| InChI Key | NCAGOQKFTHTONQ-UHFFFAOYSA-N |
| MDL Number | MFCD13619893 |
| Molecular Formula | C8H9NO3S |
| Molecular Weight | 199.2270 |
| SMILES | O=S(C1=CC2=C(COC2)C=C1)(N)=O |
| Synonyms | 1,3-dihydro-2-benzofuran-5-sulfonamide,
1189378-81-1,
SCHEMBL6121352,
ZINC44676093,
AKOS012392057,
MCULE-4713839036,
NE32477,
Z1084402088,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.224g/mol |
| Monoisotopic Mass | 199.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number