| CAS Number | 1171417-73-4 |
| Catalog Number | AG019LKF(AGN-PC-06D3RM) |
| Chemical Name | 1-[4-(Trifluoromethyl)benzoyl]piperazine hydrochloride |
| IUPAC Name | piperazin-1-yl-[4-(trifluoromethyl)phenyl]methanone;hydrochloride |
| InChI | InChI=1S/C12H13F3N2O.ClH/c13-12(14,15)10-3-1-9(2-4-10)11(18)17-7-5-16-6-8-17;/h1-4,16H,5-8H2;1H |
| InChI Key | ZKCHTVPTLLSBCO-UHFFFAOYSA-N |
| MDL Number | MFCD09971519 |
| Molecular Formula | C12H14ClF3N2O |
| Molecular Weight | 294.7006 |
| SMILES | Cl.FC(C1=CC=C(C(N2CCNCC2)=O)C=C1)(F)F |
| Synonyms | 1-[4-(trifluoromethyl)benzoyl]piperazine hydrochloride,
1171417-73-4,
AC1Q3C77,
CTK7F7004,
AKOS026850544,
MCULE-9282478007,
NE36923,
EN300-31566,
J-003513,
Z335451494,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.702g/mol |
| Monoisotopic Mass | 294.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number