N-(3-(4-fluorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide
N-[3-(4-fluorophenyl)-4-oxothiochromen-2-yl]-3-nitrobenzamide
Also Known As: N-[3-(4-fluorophenyl)-4-oxothiochromen-2-yl]-3-nitrobenzamide|N-(3-(4-fluorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide|N-[3-(4-fluorophenyl)-4-oxo-4H-thiochromen-2-yl]-3-nitrobenzamide|N-[3-(4-fluorophenyl)-4-oxo-thiochromen-2-yl]-3-nitro-benzamide
CAS: 879433-72-4
| Molecular Formula | C22H13FN2O4S |
|---|---|
| Molecular Weight | 420.058 g/mol |
| LogP | 5.2281 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.058 |
| Monoisotopic Mass | 420.058 |
| Heavy Atoms | 30 |
| Complexity | 1349.6052 |
Chemical Identifiers
| CAS Number | 879433-72-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F |
Product Overview
N-(3-(4-fluorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide (CAS 879433-72-4), with molecular formula C22H13FN2O4S and molecular weight 420.058 g/mol. IUPAC: N-[3-(4-fluorophenyl)-4-oxothiochromen-2-yl]-3-nitrobenzamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
N-(3-(4-fluorophenyl)-4-oxo-4H-thiochromen-2-yl)-3-nitrobenzamide is a custom synthesis product. We offer services from milligram to kilogram scale.
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