| CAS Number | 1824555-44-3 |
| Catalog Number | AG01B6JC |
| Chemical Name | 5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one |
| IUPAC Name | 5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one |
| InChI | InChI=1S/C7H12BrNO/c1-7(2)3-5(4-8)9-6(7)10/h5H,3-4H2,1-2H3,(H,9,10) |
| InChI Key | JPKDAZPSYHEHEN-UHFFFAOYSA-N |
| MDL Number | MFCD24539061 |
| Molecular Formula | C7H12BrNO |
| Molecular Weight | 206.0803 |
| SMILES | CC1(C(=O)NC(CBr)C1)C |
| Synonyms | 5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one,
1824555-44-3,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.083g/mol |
| Monoisotopic Mass | 205.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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