| CAS Number | 62606-02-4 |
| Catalog Number | AG01BA35(AGN-PC-0C3AYQ) |
| Chemical Name | 3-METHANESULFONYL-5-METHOXYANILINE |
| IUPAC Name | 3-methoxy-5-methylsulfonylaniline |
| InChI | InChI=1S/C8H11NO3S/c1-12-7-3-6(9)4-8(5-7)13(2,10)11/h3-5H,9H2,1-2H3 |
| InChI Key | XBZBDCOVNQRWPT-UHFFFAOYSA-N |
| MDL Number | MFCD23978605 |
| Molecular Formula | C8H11NO3S |
| Molecular Weight | 201.2428 |
| SMILES | S(=O)(=O)(C)c1cc(OC)cc(c1)N |
| Synonyms | 3-methoxy-5-(methylsulfonyl)aniline,
62606-02-4,
3-methanesulfonyl-5-methoxyaniline,
Benzenamine, 3-methoxy-5-(methylsulfonyl)-,
SCHEMBL2437487,
CTK2B6272,
DTXSID70728148,
XBZBDCOVNQRWPT-UHFFFAOYSA-N,
ZINC87797100,
3-(Methanesulfonyl)-5-methoxyaniline,
3-(Methylsulfonyl)-5-methoxy-aniline,
AKOS019304186,
Z2065788130,
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| 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 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number