| CAS Number | 1090738-49-0 |
| Catalog Number | AG01BVG3 |
| Chemical Name | N-(4-[1-(Hydroxyamino)ethylidene]cyclohexa-2,5-dien-1-ylidene)methanesulfonamide |
| IUPAC Name | N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]methanesulfonamide |
| InChI | InChI=1S/C9H12N2O3S/c1-7(10-12)8-3-5-9(6-4-8)11-15(2,13)14/h3-6,11-12H,1-2H3/b10-7+ |
| InChI Key | KMCJFKOUJJEHMP-JXMROGBWSA-N |
| MDL Number | MFCD11817507 |
| Molecular Formula | C9H12N2O3S |
| Molecular Weight | 228.2682 |
| SMILES | CC(NO)=C1C=CC(=NS(C)(=O)=O)C=C1 |
| Synonyms | EN300-39304,
N-{4-[1-(hydroxyamino)ethylidene]cyclohexa-2,5-dien-1-ylidene}methanesulfonamide,
1090738-49-0,
N-[4-(N-Hydroxyethanimidoyl)phenyl]methanesulfonamide,
SCHEMBL4624623,
AKOS000181100,
NE14644,
AC1Q2A1V,
N-{4-[(1E)-N-hydroxyethanimidoyl]phenyl}methanesulfonamide,
N-{4-[1-(hydroxyimino)ethyl]phenyl}methanesulfonamide,
401909-82-8,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 228.056863g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.27g/mol |
| Monoisotopic Mass | 228.056863g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number