Benzoic acid, 3-(phenylthio)-, 7-nitro-8-quinolinyl ester
(7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate
Also Known As: 8-Quinolinol, 7-nitro-, 3-(phenylthio)benzoate|Benzoic acid, 3-(phenylthio)-, 7-nitro-8-quinolinyl ester|(7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate|7-Nitroquinolin-8-yl 3-(phenylsulfanyl)benzoate
CAS: 29002-13-9
| Molecular Formula | C22H14N2O4S |
|---|---|
| Molecular Weight | 402.0674 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0674 |
| Monoisotopic Mass | 402.0674 |
| Heavy Atoms | 29 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 29002-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC(=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-] |
| InChIKey | CPZDNAKSFZSXHN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(phenylthio)-, 7-nitro-8-quinolinyl ester (CAS 29002-13-9), with molecular formula C22H14N2O4S and molecular weight 402.0674 g/mol. IUPAC: (7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate.
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 →
Benzoic acid, 3-(phenylthio)-, 7-nitro-8-quinolinyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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