| CAS Number | 1049738-89-7 |
| Catalog Number | AG019PAT |
| Chemical Name | 1-(Chloroacetyl)-4-(2-chloro-6-fluorobenzyl)piperazine hydrochloride |
| IUPAC Name | 2-chloro-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone;hydrochloride |
| InChI | InChI=1S/C13H15Cl2FN2O.ClH/c14-8-13(19)18-6-4-17(5-7-18)9-10-11(15)2-1-3-12(10)16;/h1-3H,4-9H2;1H |
| InChI Key | SPJGVARISWUSKX-UHFFFAOYSA-N |
| MDL Number | MFCD08448709 |
| Molecular Formula | C13H16Cl3FN2O |
| Molecular Weight | 341.6363 |
| SMILES | Cl.FC1=C(CN2CCN(C(CCl)=O)CC2)C(Cl)=CC=C1 |
| Synonyms | 2-chloro-1-{4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one hydrochloride,
1-(chloroacetyl)-4-(2-chloro-6-fluorobenzyl)piperazine hydrochloride,
1049738-89-7,
AC1Q3C9O,
CTK6H5098,
AKOS030685817,
MCULE-5519181883,
NE39813,
EN300-23017,
2-chloro-1-(4-(2-chloro-6-fluorobenzyl)piperazin-1-yl)ethanone hydrochloride,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.632g/mol |
| Monoisotopic Mass | 340.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number