| CAS Number | 1342077-83-1 |
| Catalog Number | AG01BE8R |
| Chemical Name | 3-bromo-1-(3-bromophenyl)pyrrolidin-2-one |
| IUPAC Name | 3-bromo-1-(3-bromophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9Br2NO/c11-7-2-1-3-8(6-7)13-5-4-9(12)10(13)14/h1-3,6,9H,4-5H2 |
| InChI Key | YHPLZPNTZCHOSS-UHFFFAOYSA-N |
| MDL Number | MFCD18886478 |
| Molecular Formula | C10H9Br2NO |
| Molecular Weight | 318.9926 |
| SMILES | BrC1C(=O)N(C2=CC(Br)=CC=C2)CC1 |
| Synonyms | 3-bromo-1-(3-bromophenyl)pyrrolidin-2-one,
1342077-83-1,
AKOS013099670,
NE16398,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.996g/mol |
| Monoisotopic Mass | 316.905g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number