Identifikatoren & physikalische Daten
| CAS No. | 881473-30-9 |
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| Summenformel | C11H16ClNO2 |
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| Durchschnittliche Molmasse | 229,7 g/mol |
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| Monoisotopische Masse | 229,0869564 g/mol |
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| SMILES | CCOc1cc(CN)cc(Cl)c1OCC |
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| InChIKey | ZWDXKGWZHWHVHW-UHFFFAOYSA-N |
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| PubChem CID | 972785 |
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| EC No. | 859-370-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 180 |
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Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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