Identifiers & Physical Properties
| CAS No. | 16088-60-1 |
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| Molecular formula | C3H7BrO |
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| Average molar mass | 138.99 g/mol |
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| Monoisotopic mass | 137.96802694 g/mol |
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| SMILES | C[C@H](O)CBr |
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| InChIKey | WEGOLYBUWCMMMY-VKHMYHEASA-N |
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| PubChem CID | 641237 |
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| EC No. | 992-469-1 |
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| DTXSID | DTXSID80348876 |
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Chemical & Physical Properties
| XLogP | 0.7 |
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| Topological polar surface area | 20.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 5 |
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| Formal charge | 0 |
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| Complexity | 22.9 |
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| Drugs | Pharmaceuticals -> Listed in ZINC15 |
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| SpringerMaterials Properties | Optical coefficient |
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Safety & Regulations
| GHS classification | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, 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. 3 (100%) |
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