| CAS Number | 1192656-37-3 |
| Catalog Number | AG00J12H(AGN-PC-0WRALB) |
| Chemical Name | 1-(3-methoxybenzoyl)piperazine trifluoroacetate |
| IUPAC Name | (3-methoxyphenyl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C12H16N2O2.C2HF3O2/c1-16-11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14;3-2(4,5)1(6)7/h2-4,9,13H,5-8H2,1H3;(H,6,7) |
| InChI Key | YWDYFVBKJZIRER-UHFFFAOYSA-N |
| MDL Number | MFCD11841221 |
| Molecular Formula | C14H17F3N2O4 |
| Molecular Weight | 334.291 |
| SMILES | C(=O)(C1C=CC=C(OC)C=1)N1CCNCC1.C(F)(F)(F)C(O)=O |
| Synonyms | 1-(3-Methoxybenzoyl)piperazine trifluoroacetate,
1192656-37-3,
ZX-CM002662,
MFCD11841221,
AKOS027426131,
MCULE-4338824927,
4004082-25G,
4004082-50G,
1-(3-Methoxybenzoyl)piperazine trifluoroacetate, AldrichCPR,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.295g/mol |
| Monoisotopic Mass | 334.114g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number