| CAS Number | 42247-91-6 |
| Catalog Number | AG00I86S(AGN-PC-0WQWU1) |
| Chemical Name | 4-hydroxy-N,N-dimethyl-3-nitrobenzenesulfonamide |
| IUPAC Name | 4-hydroxy-N,N-dimethyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C8H10N2O5S/c1-9(2)16(14,15)6-3-4-8(11)7(5-6)10(12)13/h3-5,11H,1-2H3 |
| InChI Key | WSOMANNJPFZGIH-UHFFFAOYSA-N |
| MDL Number | MFCD11185144 |
| Molecular Formula | C8H10N2O5S |
| Molecular Weight | 246.2404 |
| SMILES | CN(S(C1=CC([N+]([O-])=O)=C(O)C=C1)(=O)=O)C |
| Synonyms | 4-hydroxy-N,N-dimethyl-3-nitrobenzenesulfonamide,
42247-91-6,
N,N-dimethyl-2-nitro-1-phenol-4-sulfonamide,
SCHEMBL11651298,
WSOMANNJPFZGIH-UHFFFAOYSA-N,
ZINC34101818,
AKOS008940332,
4-hydroxy-N,N-dimethyl-3-nitrobenzene-1-sulfonamide,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.237g/mol |
| Monoisotopic Mass | 246.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number