| CAS Number | 1343659-96-0 |
| Catalog Number | AG01AFPU |
| Chemical Name | 2,4,6-Trimethoxybenzene-1-sulfonamide |
| IUPAC Name | 2,4,6-trimethoxybenzenesulfonamide |
| InChI | InChI=1S/C9H13NO5S/c1-13-6-4-7(14-2)9(16(10,11)12)8(5-6)15-3/h4-5H,1-3H3,(H2,10,11,12) |
| InChI Key | PXVUDLXXKGSXHH-UHFFFAOYSA-N |
| MDL Number | MFCD18897451 |
| Molecular Formula | C9H13NO5S |
| Molecular Weight | 247.2682 |
| SMILES | COC1=CC(OC)=C(S(N)(=O)=O)C(OC)=C1 |
| Synonyms | 2,4,6-trimethoxybenzene-1-sulfonamide,
1343659-96-0,
SCHEMBL115788,
ZINC82553416,
AKOS013154011,
NE40034,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.265g/mol |
| Monoisotopic Mass | 247.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number