Identifiers & Physical Properties
| CAS No. | 2243522-03-2 |
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| Molecular formula | C8H11F4NO4 |
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| Average molar mass | 261.17 g/mol |
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| Monoisotopic mass | 261.06242048 g/mol |
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| SMILES | CCOC(=O)/C(F)=C/CN.O=C(O)C(F)(F)F |
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| InChIKey | XRIJFZKSAJIILV-FBZPGIPVSA-N |
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| PubChem CID | 138040887 |
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| EC No. | 184-611-9 |
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Chemical & Physical Properties
| Topological polar surface area | 89.6 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 228 |
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Safety & Regulations
| GHS classification | 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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