| CAS Number | 1209459-01-7 |
| Catalog Number | AG00HFTG(AGN-PC-0WD2TQ) |
| Chemical Name | 4-Chloro-2-(pyrrolidin-1-yl)pyridine |
| IUPAC Name | 4-chloro-2-pyrrolidin-1-ylpyridine |
| InChI | InChI=1S/C9H11ClN2/c10-8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2 |
| InChI Key | ROBUXNZPPWMZQE-UHFFFAOYSA-N |
| MDL Number | MFCD14702601 |
| Molecular Formula | C9H11ClN2 |
| Molecular Weight | 182.6500 |
| SMILES | ClC1=CC(=NC=C1)N1CCCC1 |
| Synonyms | 4-Chloro-2-(pyrrolidin-1-yl)pyridine,
1209459-01-7,
DTXSID50670373,
4-chloro-2-pyrrolidin-1-ylpyridine,
MFCD14702601,
ZINC38541006,
MB13818,
AJ-96577,
EN001802,
4-chloro-2-(pyrrolidin-1-yl)pyridine, 95% - 1G 1g,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.651g/mol |
| Monoisotopic Mass | 182.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 16.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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