| CAS Number | 1935057-82-1 |
| Catalog Number | AG01C4O5 |
| Chemical Name | 3-(Bromomethyl)-1-methylpyrrolidin-2-one |
| IUPAC Name | 3-(bromomethyl)-1-methylpyrrolidin-2-one |
| InChI | InChI=1S/C6H10BrNO/c1-8-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3 |
| InChI Key | QIKKHHFCKXVJRL-UHFFFAOYSA-N |
| MDL Number | MFCD30180375 |
| Molecular Formula | C6H10BrNO |
| Molecular Weight | 192.0537 |
| SMILES | CN1C(=O)C(CBr)CC1 |
| Synonyms | 3-(bromomethyl)-1-methylpyrrolidin-2-one,
1935057-82-1,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.056g/mol |
| Monoisotopic Mass | 190.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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