| CAS Number | 1314713-05-7 |
| Catalog Number | AG000W98(AGN-PC-0WCY2J) |
| Chemical Name | 5-(2-Bromophenyl)pyrrolidin-2-one |
| IUPAC Name | 5-(2-bromophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H10BrNO/c11-8-4-2-1-3-7(8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13) |
| InChI Key | NLBIOMHIVPKNOO-UHFFFAOYSA-N |
| MDL Number | MFCD19700286 |
| Molecular Formula | C10H10BrNO |
| Molecular Weight | 240.0965 |
| SMILES | BrC1=CC=CC=C1C1CCC(=O)N1 |
| Synonyms | 5-(2-Bromophenyl)pyrrolidin-2-one,
1314713-05-7,
5-(2-Bromo-phenyl)-pyrrolidin-2-one,
MFCD19700286,
AKOS027251311,
2-Pyrrolidinone, 5-(2-bromophenyl)-,
FCH1361859,
AS-40229,
AX8265570,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.1g/mol |
| Monoisotopic Mass | 238.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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