| CAS Number | 713521-27-8 |
| Catalog Number | AG00IC5W(AGN-PC-0WRACY) |
| Chemical Name | 1-(2-Iodoethyl)-2-pyrrolidinone |
| IUPAC Name | 1-(2-iodoethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C6H10INO/c7-3-5-8-4-1-2-6(8)9/h1-5H2 |
| InChI Key | WPRIGVXXWBHYKT-UHFFFAOYSA-N |
| MDL Number | MFCD14583070 |
| Molecular Formula | C6H10INO |
| Molecular Weight | 239.0542 |
| SMILES | ICCN1CCCC1=O |
| Synonyms | 1-(2-iodoethyl)-2-pyrrolidinone,
713521-27-8,
1-(2-iodoethyl)pyrrolidin-2-one,
SCHEMBL5044334,
WPRIGVXXWBHYKT-UHFFFAOYSA-N,
1-(2-Iodo-ethyl)-pyrrolidin-2-one,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.056g/mol |
| Monoisotopic Mass | 238.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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