Identifiers & Physical Properties
| CAS No. | 152899-11-1 |
|---|
| Molecular formula | C9H7F3O3 |
|---|
| Average molar mass | 220.14 g/mol |
|---|
| Monoisotopic mass | 220.03472857 g/mol |
|---|
| SMILES | O=C(OCC(F)(F)F)Oc1ccccc1 |
|---|
| InChIKey | NGGUSKNBBASYGO-UHFFFAOYSA-N |
|---|
| PubChem CID | 11031357 |
|---|
| EC No. | 810-691-8 |
|---|
Chemical & Physical Properties
| XLogP | 3.2 |
|---|
| Topological polar surface area | 35.5 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 4 |
|---|
| Heavy atoms | 15 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 209 |
|---|
Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
|---|
