| CAS Number | 1261940-25-3 |
| Catalog Number | AG000S74(AGN-PC-09PZHG) |
| Chemical Name | 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine |
| IUPAC Name | 1-(2-bromo-5-chlorophenyl)-4-methylpiperazine |
| InChI | InChI=1S/C11H14BrClN2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3 |
| InChI Key | LJISIBKGVWYZLX-UHFFFAOYSA-N |
| MDL Number | MFCD18311873 |
| Molecular Formula | C11H14BrClN2 |
| Molecular Weight | 289.5993 |
| SMILES | BrC1=CC=C(C=C1N1CCN(C)CC1)Cl |
| Synonyms | 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine,
1261940-25-3,
ACMC-209b6b,
CTK4B5032,
DTXSID00682143,
ANW-18753,
MFCD18311873,
ZINC65337350,
AKOS015835246,
AJ-115107,
AX8229090,
TR-035562,
ST24020992,
Z9180,
B-2413,
I13-349,
Piperazine, 1-(2-bromo-5-chlorophenyl)-4-methyl-,
C11H14BrClN2,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.601g/mol |
| Monoisotopic Mass | 288.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number