Identifikatoren & physikalische Daten
| CAS No. | 66267-77-4 |
|---|
| Summenformel | C25H22ClNO3 |
|---|
| Durchschnittliche Molmasse | 419,9 g/mol |
|---|
| Monoisotopische Masse | 419,1288213 g/mol |
|---|
| SMILES | CC(C)[C@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 |
|---|
| InChIKey | NYPJDWWKZLNGGM-ZEQRLZLVSA-N |
|---|
| PubChem CID | 47876 |
|---|
| EC No. | 830-883-5 |
|---|
| DTXSID | DTXSID3058450 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|
| Polarare Oberfläche (TPSA) | 59,3 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 8 |
|---|
| Schwere Atome | 30 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 586 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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%) |
|---|
