Identifiers & Physical Properties
| CAS No. | 881473-30-9 |
|---|
| Molecular formula | C11H16ClNO2 |
|---|
| Average molar mass | 229.7 g/mol |
|---|
| Monoisotopic mass | 229.0869564 g/mol |
|---|
| SMILES | CCOc1cc(CN)cc(Cl)c1OCC |
|---|
| InChIKey | ZWDXKGWZHWHVHW-UHFFFAOYSA-N |
|---|
| PubChem CID | 972785 |
|---|
| EC No. | 859-370-4 |
|---|
Chemical & Physical Properties
| XLogP | 2.1 |
|---|
| Topological polar surface area | 44.5 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 15 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 180 |
|---|
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, 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. 4 (100%) |
|---|