Dataset
![molecular Image]()
process
Chemical Info
| InChI | InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H |
|---|---|
| SMILES | O=C1O[I](c2c1cccc2)C(F)(F)F |
| InChI Key | XHEOXSQMBWJOKP-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3IO2 |
| Exact Mass | 316.016 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/XHEOXSQMBWJOKP-UHFFFAOYSA-N/Others |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/XHEOXSQMBWJOKP-UHFFFAOYSA-N/Others |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T01:07:28.494965 |
| MetadataModified | 2024-09-07T15:08:33.937433 |
| MetadataPublished | 2019-05-20 |
| Field | Value |
|---|---|
| Measurement Technique | process |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CB12603183 | ChemicalBook |
| DTXSID10647708 | EPA CompTox Dashboard |
| 36096131 | eMolecules |
| 24850981 | PubChem |
| 50079945 | PubChem: Thomson Pharma |
| J2.588.655K | Nikkaji |
| SCHEMBL2360262 | SureChEMBL |
| DHY074A7WG | FDA SRS |
| IXOKAH | CCDC |
| The data in this table is sourced from UniChem at EBI. | |