| CAS Number | 1323733-50-1 |
| Catalog Number | AG0010LQ(AGN-PC-091ZSZ) |
| Chemical Name | 2-Methoxy-N,N-dimethyl-5-nitrobenzenesulfonamide |
| IUPAC Name | 2-methoxy-N,N-dimethyl-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C9H12N2O5S/c1-10(2)17(14,15)9-6-7(11(12)13)4-5-8(9)16-3/h4-6H,1-3H3 |
| InChI Key | DWHVEQLUHJWBQI-UHFFFAOYSA-N |
| MDL Number | MFCD17778311 |
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.2670 |
| SMILES | COc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-] |
| Synonyms | 2-Methoxy-N,N-dimethyl-5-nitrobenzenesulfonamide,
1323733-50-1,
ACMC-209bp3,
CTK8B0146,
DTXSID10679781,
ANW-19429,
MFCD17778311,
ZINC58312977,
AKOS008297020,
TC-108174,
Z9646,
B-9031,
2-Methoxy-N,N-dimethyl-5-nitrobenzene-1-sulfonamide,
Benzenesulfonamide, 2-methoxy-N,N-dimethyl-5-nitro-,
C9H12N2O5S,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.264g/mol |
| Monoisotopic Mass | 260.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number