| CAS Number | 1856583-78-2 |
| Catalog Number | AG01AUTA |
| Chemical Name | 2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane |
| IUPAC Name | 2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane |
| InChI | InChI=1S/C7H11BrO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4H2 |
| InChI Key | UHZMGDQVYYPBQQ-UHFFFAOYSA-N |
| MDL Number | MFCD24530652 |
| Molecular Formula | C7H11BrO |
| Molecular Weight | 191.0656 |
| SMILES | BrCC1C2OC(CC2)C1 |
| Synonyms | 2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane,
1856583-78-2,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.068g/mol |
| Monoisotopic Mass | 189.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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