| CAS Number | 1820639-99-3 |
| Catalog Number | AG00I0LU |
| Chemical Name | 3-Fluoro-4-piperazinobenzoic acid HCl |
| IUPAC Name | 3-fluoro-4-piperazin-1-ylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C11H13FN2O2.ClH/c12-9-7-8(11(15)16)1-2-10(9)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2,(H,15,16);1H |
| InChI Key | NPDNXNJVVFDWPK-UHFFFAOYSA-N |
| MDL Number | MFCD28385188 |
| Molecular Formula | C11H14ClFN2O2 |
| Molecular Weight | 260.6925 |
| SMILES | Fc1cc(ccc1N1CCNCC1)C(=O)O.Cl |
| Synonyms | 1820639-99-3,
3-Fluoro-4-(piperazin-1-yl)benzoic acid hydrochloride,
AKOS027351236,
3-Fluoro-4-piperazinobenzoic acid HCl,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.693g/mol |
| Monoisotopic Mass | 260.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number