| CAS Number | 1443981-61-0 |
| Catalog Number | AG01A5OP(AGN-PC-0WO3SF) |
| Chemical Name | 1-(4-Bromo-2,6-dimethylphenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(4-bromo-2,6-dimethylphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C12H14BrNO/c1-8-6-10(13)7-9(2)12(8)14-5-3-4-11(14)15/h6-7H,3-5H2,1-2H3 |
| InChI Key | JLEMODKQEZKEJG-UHFFFAOYSA-N |
| MDL Number | MFCD21014951 |
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 268.1497 |
| SMILES | CC1=C(N2C(=O)CCC2)C(C)=CC(Br)=C1 |
| Synonyms | 1-(4-bromo-2,6-dimethylphenyl)pyrrolidin-2-one,
1443981-61-0,
ZINC88174168,
AKOS014838037,
MCULE-4976231281,
NE17508,
Z1632890198,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.154g/mol |
| Monoisotopic Mass | 267.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number