| CAS Number | 298703-18-1 |
| Catalog Number | AG00C4VQ(AGN-PC-0WBWOK) |
| Chemical Name | 1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Hydrochloride |
| IUPAC Name | 1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride |
| InChI | InChI=1S/C12H14F3N3O2.ClH/c1-16-4-6-17(7-5-16)10-3-2-9(12(13,14)15)8-11(10)18(19)20;/h2-3,8H,4-7H2,1H3;1H |
| InChI Key | JPGOHCVWKGBVBS-UHFFFAOYSA-N |
| MDL Number | MFCD01208354 |
| Molecular Formula | C12H15ClF3N3O2 |
| Molecular Weight | 325.7146 |
| SMILES | Cl[H].FC(C1=CC=C(C(=C1)[N+](=O)[O-])N1CCN(C)CC1)(F)F |
| Synonyms | 1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Hydrochloride,
1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-piperazine hydrochloride,
298703-18-1,
AC1MET65,
CTK6I3036,
ZX-AP009121,
MFCD01208354,
PC7447,
AKOS000423889,
MCULE-4945634775,
TR-048431,
ST51002643,
SR-01000216652,
SR-01000216652-1,
CID2860723,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.716g/mol |
| Monoisotopic Mass | 325.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number