| CAS Number | 1795441-39-2 |
| Catalog Number | AG01BFPE |
| Chemical Name | 4-fluoro-3-(piperidin-1-yl)benzoic acid hydrochloride |
| IUPAC Name | 4-fluoro-3-piperidin-1-ylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C12H14FNO2.ClH/c13-10-5-4-9(12(15)16)8-11(10)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7H2,(H,15,16);1H |
| InChI Key | ZUNSWPWILRRUJZ-UHFFFAOYSA-N |
| MDL Number | MFCD28118674 |
| Molecular Formula | C12H15ClFNO2 |
| Molecular Weight | 259.7044 |
| SMILES | Cl.OC(C1=CC(N2CCCCC2)=C(F)C=C1)=O |
| Synonyms | 4-fluoro-3-(piperidin-1-yl)benzoic acid hydrochloride,
1795441-39-2,
Z1891697103,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.705g/mol |
| Monoisotopic Mass | 259.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number