| CAS Number | 75259-30-2 |
| Catalog Number | AG00G9MX(AGN-PC-0WRA03) |
| Chemical Name | 1-Methanesulfonyl-2-methoxy-4-nitrobenzene |
| IUPAC Name | 2-methoxy-1-methylsulfonyl-4-nitrobenzene |
| InChI | InChI=1S/C8H9NO5S/c1-14-7-5-6(9(10)11)3-4-8(7)15(2,12)13/h3-5H,1-2H3 |
| InChI Key | BFIQWRSPSDOJCV-UHFFFAOYSA-N |
| MDL Number | MFCD13188508 |
| Molecular Formula | C8H9NO5S |
| Molecular Weight | 231.2258 |
| SMILES | COc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-] |
| Synonyms | 1-Methanesulfonyl-2-methoxy-4-nitrobenzene,
75259-30-2,
1-methanesulfonyl-2-methoxy-4-nitro-benzene,
SCHEMBL1098646,
BFIQWRSPSDOJCV-UHFFFAOYSA-N,
ZINC40544569,
AKOS023556026,
V7612,
Benzene, 2-methoxy-1-(methylsulfonyl)-4-nitro-,
C8H9NO5S,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.222g/mol |
| Monoisotopic Mass | 231.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number