Identifikatoren & physikalische Daten
| CAS No. | 107676-56-2 |
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| Summenformel | C15H13N3O2 |
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| Durchschnittliche Molmasse | 267,28 g/mol |
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| Monoisotopische Masse | 267,10077667 g/mol |
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| SMILES | COc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 |
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| InChIKey | KUUOBHWNEYRZBM-UHFFFAOYSA-N |
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| PubChem CID | 341920 |
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| EC No. | 666-033-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 74,2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 361 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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