| CAS Number | 1314987-83-1 |
| Catalog Number | AG00HSJ6(AGN-PC-0WP1NL) |
| Chemical Name | 5-(3-methanesulfonylphenyl)pyridin-2-amine |
| IUPAC Name | 5-(3-methylsulfonylphenyl)pyridin-2-amine |
| InChI | InChI=1S/C12H12N2O2S/c1-17(15,16)11-4-2-3-9(7-11)10-5-6-12(13)14-8-10/h2-8H,1H3,(H2,13,14) |
| InChI Key | XKMHVTBQIPMSQF-UHFFFAOYSA-N |
| MDL Number | MFCD19684184 |
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.3009 |
| SMILES | Nc1ccc(cn1)c1cccc(c1)S(=O)(=O)C |
| Synonyms | 5-(3-methanesulfonylphenyl)pyridin-2-amine,
1314987-83-1,
MFCD19684184,
ZINC95495480,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.3g/mol |
| Monoisotopic Mass | 248.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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