| CAS Number | 4398-28-1 |
| Catalog Number | AG01C1PY |
| Chemical Name | 2-Methanesulfonyl-4-methoxyaniline |
| IUPAC Name | 4-methoxy-2-methylsulfonylaniline |
| InChI | InChI=1S/C8H11NO3S/c1-12-6-3-4-7(9)8(5-6)13(2,10)11/h3-5H,9H2,1-2H3 |
| InChI Key | UGEZZTBSMVMJQG-UHFFFAOYSA-N |
| MDL Number | MFCD23903999 |
| Molecular Formula | C8H11NO3S |
| Molecular Weight | 201.2428 |
| SMILES | COC1=CC(=C(N)C=C1)S(=O)(=O)C |
| Synonyms | 2-methanesulfonyl-4-methoxyaniline,
4398-28-1,
ZINC87544322,
AKOS019020625,
Z2238508636,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.24g/mol |
| Monoisotopic Mass | 201.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number