| CAS Number | 1426958-37-3 |
| Catalog Number | AG009WW4(AGN-PC-0WNNM7) |
| Chemical Name | 1-(4-Bromo-3-chlorophenyl)-4-methylpiperazine |
| IUPAC Name | 1-(4-bromo-3-chlorophenyl)-4-methylpiperazine |
| InChI | InChI=1S/C11H14BrClN2/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7H2,1H3 |
| InChI Key | MXYFKZPPPWIQFU-UHFFFAOYSA-N |
| MDL Number | MFCD23699488 |
| Molecular Formula | C11H14BrClN2 |
| Molecular Weight | 289.5993 |
| SMILES | CN1CCN(CC1)c1ccc(c(c1)Cl)Br |
| Synonyms | 1-(4-BROMO-3-CHLOROPHENYL)-4-METHYLPIPERAZINE,
1426958-37-3,
KM3586,
ZINC95217858,
AKOS025404099,
V3217,
C11H14BrClN2,
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| 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