| CAS Number | 5825-42-3 |
| Catalog Number | AG00EZSA(AGN-PC-03AATH) |
| Chemical Name | 8-(Methylsulfonyl)quinoline |
| IUPAC Name | 8-methylsulfonylquinoline |
| InChI | InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3 |
| InChI Key | RPUNNHCLJDHINC-UHFFFAOYSA-N |
| MDL Number | MFCD18974464 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.2490 |
| SMILES | O=S(C1=C2N=CC=CC2=CC=C1)(C)=O |
| Synonyms | 5825-42-3,
8-methanesulfonylquinoline,
8-(methylsulfonyl)quinoline,
8-methylsulfonylquinoline,
SCHEMBL863061,
CTK8J4541,
Quinoline, 8-(methylsulfonyl)-,
ZINC39140297,
AKOS027410045,
Z2240999270,
Quinoline,8- -,
Quinoline, 8-(methylsulfonyl)-,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number