| CAS Number | 1161864-92-1 |
| Catalog Number | AG019EV3(AGN-PC-0WG46W) |
| Chemical Name | 2-(Phenylsulfonyl)nicotinaldehyde |
| IUPAC Name | 2-(benzenesulfonyl)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C12H9NO3S/c14-9-10-5-4-8-13-12(10)17(15,16)11-6-2-1-3-7-11/h1-9H |
| InChI Key | LENIWDMRUJFJDE-UHFFFAOYSA-N |
| MDL Number | MFCD29917041 |
| Molecular Formula | C12H9NO3S |
| Molecular Weight | 247.2698 |
| SMILES | O=Cc1cccnc1S(=O)(=O)c1ccccc1 |
| Synonyms | 2-(Phenylsulfonyl)nicotinaldehyde,
1161864-92-1,
2-(benzenesulfonyl)pyridine-3-carbaldehyde,
2-benzenesulfonylpyridine-3-carbaldehyde,
SCHEMBL1464976,
LENIWDMRUJFJDE-UHFFFAOYSA-N,
MFCD29917041,
ZINC116249051,
CS-0038470,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.268g/mol |
| Monoisotopic Mass | 247.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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