Identifikatoren & physikalische Daten
| CAS No. | 86189-87-9 |
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| Summenformel | C13H10FN3O |
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| Durchschnittliche Molmasse | 243,24 g/mol |
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| Monoisotopische Masse | 243,08079011 g/mol |
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| SMILES | O=C(N/N=C/c1ccc(F)cc1)c1ccncc1 |
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| InChIKey | SVYYQPLGBPBEQO-CXUHLZMHSA-N |
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| PubChem CID | 6861407 |
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| ChEMBL | CHEMBL496992 |
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| EC No. | 167-810-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 54,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 295 |
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| Löslichkeit | 28.6 [ug/mL] (The mean of the results at pH 7.4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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