| CAS Number | 28491-02-3 |
| Catalog Number | AG00BNOD(AGN-PC-00KEBC) |
| Chemical Name | 3-(4-Chlorophenoxy)pyrrolidine |
| IUPAC Name | 3-(4-chlorophenoxy)pyrrolidine |
| InChI | InChI=1S/C10H12ClNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2 |
| InChI Key | GTDFBKVKKRBGIF-UHFFFAOYSA-N |
| MDL Number | MFCD08687447 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | ClC1=CC=C(OC2CNCC2)C=C1 |
| Synonyms | 3-(4-CHLOROPHENOXY)PYRROLIDINE,
28491-02-3,
3-(4-chloro-phenoxy)-pyrrolidine,
SCHEMBL2343564,
CTK6H0742,
GTDFBKVKKRBGIF-UHFFFAOYSA-N,
AKOS011613272,
TR-047518,
BB 0261742,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.662g/mol |
| Monoisotopic Mass | 197.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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