| CAS Number | 2059970-52-2 |
| Catalog Number | AG01BRC3 |
| Chemical Name | 3-(bromomethyl)-2-oxaspiro[4.4]nonane |
| IUPAC Name | 3-(bromomethyl)-2-oxaspiro[4.4]nonane |
| InChI | InChI=1S/C9H15BrO/c10-6-8-5-9(7-11-8)3-1-2-4-9/h8H,1-7H2 |
| InChI Key | HLRPTEGWVTVURG-UHFFFAOYSA-N |
| MDL Number | MFCD30502429 |
| Molecular Formula | C9H15BrO |
| Molecular Weight | 219.1188 |
| SMILES | BrCC1OCC2(CCCC2)C1 |
| Synonyms | 3-(bromomethyl)-2-oxaspiro[4.4]nonane,
2059970-52-2,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.122g/mol |
| Monoisotopic Mass | 218.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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