Identifiers & Physical Properties
| CAS No. | 3212-63-3 |
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| Molecular formula | C7H13BrO |
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| Average molar mass | 193.08 g/mol |
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| Monoisotopic mass | 192.01497714 g/mol |
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| SMILES | CC(C)C(=O)C(C)(C)Br |
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| InChIKey | PSQRABHKSDZETF-UHFFFAOYSA-N |
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| PubChem CID | 222575 |
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| EC No. | 872-302-8 |
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| DTXSID | DTXSID90278670 |
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Chemical & Physical Properties
| XLogP | 2.4 |
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| Topological polar surface area | 17.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 116 |
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Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 | Flam. Liq. 2 (100%) |
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