| CAS Number | 110654-66-5 |
| Catalog Number | AG008WXJ(AGN-PC-00LRG8) |
| Chemical Name | 1-(3-Nitrophenyl)methanesulfonamide |
| IUPAC Name | (3-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C7H8N2O4S/c8-14(12,13)5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2,(H2,8,12,13) |
| InChI Key | AJBITZYPLDRBOE-UHFFFAOYSA-N |
| MDL Number | MFCD11212984 |
| Molecular Formula | C7H8N2O4S |
| Molecular Weight | 216.2144 |
| SMILES | NS(CC1=CC([N+]([O-])=O)=CC=C1)(=O)=O |
| Synonyms | 1-(3-nitrophenyl)methanesulfonamide,
(3-nitrophenyl)methanesulfonamide,
110654-66-5,
SCHEMBL1169876,
AJBITZYPLDRBOE-UHFFFAOYSA-N,
(3-nitrophenyl)-methane sulfonamide,
ALBB-024732,
Benzenemethanesulfonamide, 3-nitro-,
MFCD11212984,
ZINC22515119,
AKOS009343573,
MCULE-6257585794,
ST096386,
Z1498364722,
T1530,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.211g/mol |
| Monoisotopic Mass | 216.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number