| CAS Number | 1248478-93-4 |
| Catalog Number | AG01BCWZ(AGN-PC-0WORTR) |
| Chemical Name | 1-(2-fluorophenyl)-3-methylpiperazine |
| IUPAC Name | 1-(2-fluorophenyl)-3-methylpiperazine |
| InChI | InChI=1S/C11H15FN2/c1-9-8-14(7-6-13-9)11-5-3-2-4-10(11)12/h2-5,9,13H,6-8H2,1H3 |
| InChI Key | HILRJMLNCMWXSA-UHFFFAOYSA-N |
| MDL Number | MFCD16842036 |
| Molecular Formula | C11H15FN2 |
| Molecular Weight | 194.2486 |
| SMILES | CC1NCCN(C2=C(F)C=CC=C2)C1 |
| Synonyms | 1-(2-fluorophenyl)-3-methylpiperazine,
1248478-93-4,
SCHEMBL5268435,
AKOS011963983,
MCULE-3246667219,
NE32122,
Z1824497871,
874646-02-3,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.253g/mol |
| Monoisotopic Mass | 194.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number