| CAS Number | 866782-60-7 |
| Catalog Number | AG01DTTP(AGN-PC-00UUQA) |
| Chemical Name | 3-(benzenesulfonyl)-8-fluoroquinoline |
| IUPAC Name | 3-(benzenesulfonyl)-8-fluoroquinoline |
| InChI | InChI=1S/C15H10FNO2S/c16-14-8-4-5-11-9-13(10-17-15(11)14)20(18,19)12-6-2-1-3-7-12/h1-10H |
| InChI Key | OJAYPDUKGOQKJU-UHFFFAOYSA-N |
| MDL Number | MFCD20484960 |
| Molecular Formula | C15H10FNO2S |
| Molecular Weight | 287.3088 |
| SMILES | Fc1cccc2c1ncc(c2)S(=O)(=O)c1ccccc1 |
| Synonyms | 8-Fluoro-3-(phenylsulfonyl)quinoline,
866782-60-7,
SCHEMBL3206061,
OJAYPDUKGOQKJU-UHFFFAOYSA-N,
8-fluoro-3-phenylsulfonylquinoline,
3-Benzenesulfonyl-8-fluoro-quinoline,
MFCD20484960,
ZINC60326786,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.308g/mol |
| Monoisotopic Mass | 287.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number