HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 165988198Generated: November 2, 2026
tert-butyl 3-(3-bromo-1H-1,2,4-triazol-1-yl)azetidine-1-carboxylate
https://huagongshe.com/en/chemical/165988198
Identifiers & Physical Properties
| CAS No. | 2763977-27-9 |
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| Molecular formula | C10H15BrN4O2 |
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| Average molar mass | 303.16 g/mol |
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| Monoisotopic mass | 302.03784 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CC(n2cnc(Br)n2)C1 |
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| InChIKey | VKMWLYUTXLIEPN-UHFFFAOYSA-N |
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| PubChem CID | 165988198 |
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| EC No. | 898-345-2 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 60.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 301 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
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