| CAS Number | 13736-78-2 |
| Catalog Number | AG01C36M |
| Chemical Name | 3-Methanesulfonyl-4-methoxyaniline |
| IUPAC Name | 4-methoxy-3-methylsulfonylaniline |
| InChI | InChI=1S/C8H11NO3S/c1-12-7-4-3-6(9)5-8(7)13(2,10)11/h3-5H,9H2,1-2H3 |
| InChI Key | JATZCBRBGUIRIX-UHFFFAOYSA-N |
| MDL Number | MFCD24623809 |
| Molecular Formula | C8H11NO3S |
| Molecular Weight | 201.2428 |
| SMILES | COC1=C(S(C)(=O)=O)C=C(N)C=C1 |
| Synonyms | 3-methanesulfonyl-4-methoxyaniline,
13736-78-2,
SCHEMBL2650962,
AKOS033866455,
ZINC137781823,
Benzenamine, 4-methoxy-3-(methylsulfonyl)-,
Z2327226264,
[5-Amino-2-methoxy-phenyl]-methyl-sulfon,
|
| 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 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number