Identifikatoren & physikalische Daten
| CAS No. | 23441-87-4 |
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| Summenformel | C14H8Cl2N2O |
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| Durchschnittliche Molmasse | 291,1 g/mol |
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| Monoisotopische Masse | 290,0013683 g/mol |
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| SMILES | O=c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]1 |
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| InChIKey | FIKXZQLWVRAQOA-UHFFFAOYSA-N |
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| PubChem CID | 12379515 |
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| EC No. | 641-714-8 |
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| DTXSID | DTXSID301347410 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 41,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 399 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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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