| CAS Number | 28491-00-1 |
| Catalog Number | AG002VJ2(AGN-PC-0WBW9B) |
| Chemical Name | 3-(3-Chlorophenoxy)pyrrolidine hydrochloride |
| IUPAC Name | 3-(3-chlorophenoxy)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C10H12ClNO.ClH/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10;/h1-3,6,10,12H,4-5,7H2;1H |
| InChI Key | PLZHYTNQTCPVLC-UHFFFAOYSA-N |
| MDL Number | MFCD09879240 |
| Molecular Formula | C10H13Cl2NO |
| Molecular Weight | 234.1223 |
| SMILES | ClC1=CC(OC2CNCC2)=CC=C1.[H]Cl |
| Synonyms | 3-(3-CHLOROPHENOXY)PYRROLIDINE HYDROCHLORIDE,
28491-00-1,
(R)-3-(3-Chlorophenoxy)pyrrolidine hydrochloride,
(S)-3-(3-Chlorophenoxy)pyrrolidine hydrochloride,
1246454-01-2,
1379588-43-8,
CTK6H2863,
DTXSID60663059,
3-(3-Chlorophenoxy)pyrrolidine HCl,
AKOS015846067,
TR-047503,
FT-0678081,
I11-840,
F2167-1697,
3-(3-Chlorophenoxy)pyrrolidine--hydrogen chloride (1/1),
337912-67-1,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.12g/mol |
| Monoisotopic Mass | 233.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number