| CAS Number | 2092356-64-2 |
| Catalog Number | AG01BI0S |
| Chemical Name | 3-(bromomethyl)-2,9-dioxaspiro[5.5]undecane |
| IUPAC Name | 3-(bromomethyl)-2,9-dioxaspiro[5.5]undecane |
| InChI | InChI=1S/C10H17BrO2/c11-7-9-1-2-10(8-13-9)3-5-12-6-4-10/h9H,1-8H2 |
| InChI Key | KTUBERSNDRWIER-UHFFFAOYSA-N |
| MDL Number | MFCD30734072 |
| Molecular Formula | C10H17BrO2 |
| Molecular Weight | 249.1448 |
| SMILES | BrCC1OCC2(CCOCC2)CC1 |
| Synonyms | 3-(bromomethyl)-2,9-dioxaspiro[5.5]undecane,
2092356-64-2,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.148g/mol |
| Monoisotopic Mass | 248.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number