| CAS Number | 89979-14-6 |
| Catalog Number | AG00IFX0(AGN-PC-0WOK1T) |
| Chemical Name | 2-Chloro-1-(ethanesulfonyl)-4-nitrobenzene |
| IUPAC Name | 2-chloro-1-ethylsulfonyl-4-nitrobenzene |
| InChI | InChI=1S/C8H8ClNO4S/c1-2-15(13,14)8-4-3-6(10(11)12)5-7(8)9/h3-5H,2H2,1H3 |
| InChI Key | WDCLGGYMVLPIHI-UHFFFAOYSA-N |
| MDL Number | MFCD24448796 |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.6714 |
| SMILES | CCS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-] |
| Synonyms | 2-Chloro-1-(ethanesulfonyl)-4-nitrobenzene,
89979-14-6,
ZINC95495686,
V8863,
C8H8ClNO4S,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.665g/mol |
| Monoisotopic Mass | 248.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number