| CAS Number | 1187658-92-9 |
| Catalog Number | AG0094C2(AGN-PC-0WNNBU) |
| Chemical Name | 1-Methanesulfonyl-4-Methoxy-2-nitrobenzene |
| IUPAC Name | 4-methoxy-1-methylsulfonyl-2-nitrobenzene |
| InChI | InChI=1S/C8H9NO5S/c1-14-6-3-4-8(15(2,12)13)7(5-6)9(10)11/h3-5H,1-2H3 |
| InChI Key | HXLKMLLNFYMITG-UHFFFAOYSA-N |
| MDL Number | MFCD23699506 |
| Molecular Formula | C8H9NO5S |
| Molecular Weight | 231.2258 |
| SMILES | COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C |
| Synonyms | 1-Methanesulfonyl-4-methoxy-2-nitrobenzene,
1187658-92-9,
SCHEMBL3919900,
ZINC95218040,
1-Methanesulfonyl-4-methoxy-2-nitro-benzene,
Z8031,
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 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number