| CAS Number | 1445322-57-5 |
| Catalog Number | AG00AQID(AGN-PC-0WAE9X) |
| Chemical Name | N-(4-Formylphenyl)-N-methanesulfonylmethanesulfonamide |
| IUPAC Name | N-(4-formylphenyl)-N-methylsulfonylmethanesulfonamide |
| InChI | InChI=1S/C9H11NO5S2/c1-16(12,13)10(17(2,14)15)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3 |
| InChI Key | BRCCIENXTHBMHV-UHFFFAOYSA-N |
| MDL Number | MFCD25121761 |
| Molecular Formula | C9H11NO5S2 |
| Molecular Weight | 277.3173 |
| SMILES | O=Cc1ccc(cc1)N(S(=O)(=O)C)S(=O)(=O)C |
| Synonyms | N-(4-FORMYLPHENYL)-N-METHANESULFONYLMETHANESULFONAMIDE,
1445322-57-5,
KM4083,
ZINC95495770,
AKOS026673442,
V3334,
C9H11NO5S2,
BRCCIENXTHBMHV-UHFFFAOYSA-N,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.309g/mol |
| Monoisotopic Mass | 277.008g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number