| CAS Number | 1420800-34-5 |
| Catalog Number | AG009X79(AGN-PC-0WA6UV) |
| Chemical Name | 2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline |
| IUPAC Name | N,N-dimethyl-2-methylsulfonyl-5-nitroaniline |
| InChI | InChI=1S/C9H12N2O4S/c1-10(2)8-6-7(11(12)13)4-5-9(8)16(3,14)15/h4-6H,1-3H3 |
| InChI Key | FUALTCLJNGRRGR-UHFFFAOYSA-N |
| MDL Number | MFCD22689111 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | CN(c1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C |
| Synonyms | 2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline,
1420800-34-5,
ZINC95218028,
V3157,
C9H12N2O4S,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number