| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM30007477-1 |
| Product Name | Bronidox |
| CAS | 30007-47-7 |
| Structure |  |
| Synonyms | 5-Bromo-5-nitro-m-dioxane |
| IUPAC Name | 5-Bromo-5-nitro-1,3-dioxane |
| Molecular Weight | 212 |
| Molecular Formula | C4H6BrNO4 |
| Canonical SMILES | C1C(COCO1)([N+](=O)[O-])Br |
| InChI | InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2 |
| InChIKey | XVBRCOKDZVQYAY-UHFFFAOYSA-N |
| Boiling Point | 280.8±40.0 °C |
| Melting Point | 58-60 °C |
| Density | 1.07 g/cm3 |
| Complexity | 139 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.94802 |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 210.94802 |
| Physical State | White powder |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.3 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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