| CAS Number | 91152-30-6 |
| Catalog Number | AG00IGIJ(AGN-PC-0NFZ6M) |
| Chemical Name | 1-(3-Chloropropyl)pyrrolidin-2-one |
| IUPAC Name | 1-(3-chloropropyl)pyrrolidin-2-one |
| InChI | InChI=1S/C7H12ClNO/c8-4-2-6-9-5-1-3-7(9)10/h1-6H2 |
| InChI Key | LNLIBBYAXDZTNJ-UHFFFAOYSA-N |
| MDL Number | MFCD09742124 |
| Molecular Formula | C7H12ClNO |
| Molecular Weight | 161.6293 |
| SMILES | ClCCCN1C(=O)CCC1 |
| Synonyms | 1-(3-chloropropyl)pyrrolidin-2-one,
91152-30-6,
2-Pyrrolidinone, 1-(3-chloropropyl)-,
1-(3-chloropropyl)-2-Pyrrolidinone,
ACMC-20lu0n,
AC1Q3UOC,
SCHEMBL2493043,
CTK3G5259,
DTXSID70455326,
LNLIBBYAXDZTNJ-UHFFFAOYSA-N,
ZINC19259873,
AKOS000149201,
DA-01346,
1-chloro-3-[2-oxopyrrolidin-1-yl]propane,
1-chloro-3-[2-oxo-pyrrolidin-1-yl]propane,
FT-0708786,
EN300-54671,
F8889-5317,
CID11105662,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.629g/mol |
| Monoisotopic Mass | 161.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number