| Keyword(s): | Drinking Water Chemicals ; Indoor Environment Substances |
| Molecule Category | Free-form |
| UNII | C8BX46QL7K |
| EPA CompTox | DTXSID4021395 |
Structure
| InChI Key | ZSDSQXJSNMTJDA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16F3N3O4 |
| Molecular Weight | 335.11 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 89.52 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1582-09-8 |
| NORMAN SUSDAT | |
| FDA SRS | C8BX46QL7K |
| PubChem | 5569 |
| ChemSpider | 5368.0 |
CONTENTS
