| CAS Number | 459869-30-8 |
| Catalog Number | AG01C4S8 |
| Chemical Name | 3-bromo-1-(diphenylmethyl)-4,4-dimethoxypyrrolidin-2-one |
| IUPAC Name | 1-benzhydryl-3-bromo-4,4-dimethoxypyrrolidin-2-one |
| InChI | InChI=1S/C19H20BrNO3/c1-23-19(24-2)13-21(18(22)17(19)20)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3 |
| InChI Key | VDEFXAWITXOCLI-UHFFFAOYSA-N |
| MDL Number | MFCD29763213 |
| Molecular Formula | C19H20BrNO3 |
| Molecular Weight | 390.271 |
| SMILES | COC1(OC)C(Br)C(=O)N(C(C2=CC=CC=C2)C2=CC=CC=C2)C1 |
| Synonyms | 3-bromo-1-(diphenylmethyl)-4,4-dimethoxypyrrolidin-2-one,
459869-30-8,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.277g/mol |
| Monoisotopic Mass | 389.063g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number