| CAS Number | 1956310-41-0 |
| Catalog Number | AG01DJIB |
| Chemical Name | 2-(Azepan-1-yl)-2-(4-chlorophenyl)acetic acid hydrochloride |
| IUPAC Name | 2-(azepan-1-yl)-2-(4-chlorophenyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C14H18ClNO2.ClH/c15-12-7-5-11(6-8-12)13(14(17)18)16-9-3-1-2-4-10-16;/h5-8,13H,1-4,9-10H2,(H,17,18);1H |
| InChI Key | UHFPXPFZKKOOIG-UHFFFAOYSA-N |
| MDL Number | MFCD28991773 |
| Molecular Formula | C14H19Cl2NO2 |
| Molecular Weight | 304.2122 |
| SMILES | OC(=O)C(c1ccc(cc1)Cl)N1CCCCCC1.Cl |
| Synonyms | 1956310-41-0,
2-(AZEPAN-1-YL)-2-(4-CHLOROPHENYL)ACETIC ACID HCL,
2-(Azepan-1-yl)-2-(4-chlorophenyl)acetic acid hydrochloride,
MFCD28991773,
AKOS027256351,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.211g/mol |
| Monoisotopic Mass | 303.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number