Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
4-chloro-8-nitroquinoline
Chemical Information
| InChI | InChI=1S/C9H5ClN2O2/c10-7-4-5-11-9-6(7)2-1-3-8(9)12(13)14/h1-5H |
|---|---|
| SMILES | [O-][N+](=O)c1cccc2c1nccc2Cl |
| InChI Key | AOATVJLAFLBGPZ-UHFFFAOYSA-N |
| Exact Mass | 208.601 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol8010 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1491458 | chembl |
| 317836 | surechembl |
| 610440 | pubchem |
| YUCVAW | CCDC |
| DTXSID00346218 | comptox |
| 33443736 | surechembl |
| Molport-001-942-004 | molport |
| The data in this table is sourced from UniChem at EBI. | |