Identifikatoren & physikalische Daten
| CAS No. | 99514-24-6 |
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| Summenformel | C13H9ClN2O3 |
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| Durchschnittliche Molmasse | 276,67 g/mol |
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| Monoisotopische Masse | 276,0301698 g/mol |
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| SMILES | O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 |
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| InChIKey | CMPTUSXHSQAMGT-UHFFFAOYSA-N |
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| PubChem CID | 229331 |
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| EC No. | 140-866-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 74,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 337 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (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 | Eye Irrit. 2 (100%) |
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