| CAS Number | 1779462-24-6 |
| Catalog Number | AG00HZRC(AGN-PC-0WG3YV) |
| Chemical Name | 2-(2-Chlorophenyl)-2-(Piperidin-1-Yl)Acetic Acid Hydrochloride |
| IUPAC Name | 2-(2-chlorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride |
| InChI | InChI=1S/C13H16ClNO2.ClH/c14-11-7-3-2-6-10(11)12(13(16)17)15-8-4-1-5-9-15;/h2-3,6-7,12H,1,4-5,8-9H2,(H,16,17);1H |
| InChI Key | ZSROTUQDCIPMOX-UHFFFAOYSA-N |
| MDL Number | MFCD08543726 |
| Molecular Formula | C13H17Cl2NO2 |
| Molecular Weight | 290.1856 |
| SMILES | OC(=O)C(c1ccccc1Cl)N1CCCCC1.Cl |
| Synonyms | 1779462-24-6,
2-(2-Chlorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride,
(2-chlorophenyl)piperidin-1-ylacetic acid hydrochloride,
CTK8E0981,
2-(2-chlorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride,
MFCD08543726,
CS-0036095,
2-(2-Chlorophenyl)-2-(piperidin-1-yl)acetic acid HCl,
(2-Chloro-phenyl)-piperidin-1-yl-aceticacid hydrochloride,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.184g/mol |
| Monoisotopic Mass | 289.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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