| CAS Number | 1248263-70-8 |
| Catalog Number | AG01AC7Q(AGN-PC-0WO5MH) |
| Chemical Name | 3-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one |
| IUPAC Name | 3-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C11H13BrN2O/c1-7-6-8(2-3-9(7)12)14-5-4-10(13)11(14)15/h2-3,6,10H,4-5,13H2,1H3 |
| InChI Key | DSTFDWMELKKNBB-UHFFFAOYSA-N |
| MDL Number | MFCD14689775 |
| Molecular Formula | C11H13BrN2O |
| Molecular Weight | 269.1377 |
| SMILES | CC1=C(Br)C=CC(N2C(=O)C(N)CC2)=C1 |
| Synonyms | 3-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one,
1248263-70-8,
AKOS010813937,
NE29347,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.142g/mol |
| Monoisotopic Mass | 268.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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