| CAS Number | 1140506-56-4 |
| Catalog Number | AG019EPQ(AGN-PC-0WG46X) |
| Chemical Name | 2-((4-Fluorophenyl)sulfonyl)nicotinaldehyde |
| IUPAC Name | 2-(4-fluorophenyl)sulfonylpyridine-3-carbaldehyde |
| InChI | InChI=1S/C12H8FNO3S/c13-10-3-5-11(6-4-10)18(16,17)12-9(8-15)2-1-7-14-12/h1-8H |
| InChI Key | GFTAQHCYETYPCH-UHFFFAOYSA-N |
| MDL Number | MFCD29917040 |
| Molecular Formula | C12H8FNO3S |
| Molecular Weight | 265.2602 |
| SMILES | O=Cc1cccnc1S(=O)(=O)c1ccc(cc1)F |
| Synonyms | 2-((4-Fluorophenyl)sulfonyl)nicotinaldehyde,
1140506-56-4,
2-(4-fluorophenyl)sulfonylpyridine-3-carbaldehyde,
SCHEMBL1598789,
GFTAQHCYETYPCH-UHFFFAOYSA-N,
MFCD29917040,
AKOS027255985,
ZINC116627928,
CS-0038469,
2-(4-fluorobenzenesulfonyl)-pyridine-3-carboxaldehyde,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.258g/mol |
| Monoisotopic Mass | 265.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number