Identifiers & Physical Properties
| CAS No. | 2616-50-4 |
|---|
| Molecular formula | C10H10ClNO |
|---|
| Average molar mass | 195.64 g/mol |
|---|
| Monoisotopic mass | 195.04509162 g/mol |
|---|
| SMILES | O=C(Cl)N1CCCc2ccccc21 |
|---|
| InChIKey | KRGMMKVSHXVQCM-UHFFFAOYSA-N |
|---|
| PubChem CID | 13591069 |
|---|
| EC No. | 896-444-5 |
|---|
| DTXSID | DTXSID10544546 |
|---|
Chemical & Physical Properties
| XLogP | 2.7 |
|---|
| Topological polar surface area | 20.3 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 1 |
|---|
| Rotatable bonds | 0 |
|---|
| Heavy atoms | 13 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 207 |
|---|
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
