Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
19F nuclear magnetic resonance spectroscopy (19F NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
1-bromo-2,3,4,5,6-pentafluorobenzene
Chemical Information
| InChI | InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
|---|---|
| SMILES | Fc1c(F)c(F)c(c(c1F)Br)F |
| InChI Key | XEKTVXADUPBFOA-UHFFFAOYSA-N |
| Exact Mass | 246.960 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol8484 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| BBF | rcsb_pdb |
| CHEMBL1231233 | chembl |
| 350227 | surechembl |
| 9578 | pubchem |
| S88219080S | fdasrs |
| NAFXOK | CCDC |
| BBF | pdbe |
| 20033101 | nmrshiftdb2 |
| DTXSID3047136 | comptox |
| Molport-000-152-261 | molport |
| The data in this table is sourced from UniChem at EBI. | |