| CAS Number | 99363-02-7 |
| Catalog Number | AG006O8V(AGN-PC-0586I1) |
| Chemical Name | 4-Methoxy-N,N-dimethyl-3-nitrobenzenesulfonamide |
| IUPAC Name | 4-methoxy-N,N-dimethyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C9H12N2O5S/c1-10(2)17(14,15)7-4-5-9(16-3)8(6-7)11(12)13/h4-6H,1-3H3 |
| InChI Key | FTUMQRKEMKZWOH-UHFFFAOYSA-N |
| MDL Number | MFCD01004323 |
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.2670 |
| SMILES | COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C)C |
| Synonyms | 4-Methoxy-N,N-dimethyl-3-nitrobenzenesulfonamide,
99363-02-7,
N,N-DIMETHYL-4-METHOXY-3-NITRO-BENZENE-SULFONAMIDE,
ACMC-209scg,
SCHEMBL15561341,
CTK5I0368,
DTXSID20650309,
ANW-41006,
MFCD01004323,
ZINC16092090,
AKOS008924029,
MCULE-6152083356,
TC-129751,
V9931,
B-9826,
4-Methoxy-N,N-dimethyl-3-nitrobenzene-1-sulfonamide,
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 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number