| CAS Number | 546077-27-4 |
| Catalog Number | AG01EIGR |
| Chemical Name | N-(2-methoxy-4-nitrophenyl)ethane-1-sulfonamide |
| IUPAC Name | N-(2-methoxy-4-nitrophenyl)ethanesulfonamide |
| InChI | InChI=1S/C9H12N2O5S/c1-3-17(14,15)10-8-5-4-7(11(12)13)6-9(8)16-2/h4-6,10H,3H2,1-2H3 |
| InChI Key | LRLFEGMYOBTSIO-UHFFFAOYSA-N |
| MDL Number | MFCD03393752 |
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.267 |
| SMILES | CCS(NC1=C(OC)C=C([N+]([O-])=O)C=C1)(=O)=O |
| Synonyms | AC1MRXY5,
AKOS003981159,
N-(2-methoxy-4-nitrophenyl)ethanesulfonamide,
N-(2-METHOXY-4-NITROPHENYL)ETHANE-1-SULFONAMIDE,
546077-27-4,
CID3575546,
N-(2-methoxy-4-nitro-phenyl)ethanesulfonamide,
|
| Complexity | 359 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.264g/mol |
| Monoisotopic Mass | 260.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number