Identifikatoren & physikalische Daten
| CAS No. | 21617-00-5 |
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| Summenformel | C17H13ClN2O2 |
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| Durchschnittliche Molmasse | 312,7 g/mol |
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| Monoisotopische Masse | 312,0665554 g/mol |
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| SMILES | Cc1ccccc1NC(=O)Oc1ccc(Cl)c2cccnc12 |
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| InChIKey | RSWXUTKQPKETAK-UHFFFAOYSA-N |
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| PubChem CID | 3678097 |
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| EC No. | 666-032-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
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| Polarare Oberfläche (TPSA) | 51,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 393 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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