Identifikatoren & physikalische Daten
| CAS No. | 1486804-63-0 |
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| Summenformel | C11H13ClO4S |
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| Durchschnittliche Molmasse | 276,74 g/mol |
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| Monoisotopische Masse | 276,0223078 g/mol |
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| SMILES | Cc1ccc(S(=O)(=O)Cl)cc1C(=O)OC(C)C |
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| InChIKey | VVNXCCKCBNTZEG-UHFFFAOYSA-N |
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| PubChem CID | 65397113 |
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| EC No. | 186-837-3 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 68,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 371 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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 | Acute Tox. 4 (100%) |
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