| CAS Number | 1426958-32-8 |
| Catalog Number | AG009X2W(AGN-PC-0WA3PE) |
| Chemical Name | 1-(4-Bromo-3-chlorophenyl)-4-ethylpiperazine |
| IUPAC Name | 1-(4-bromo-3-chlorophenyl)-4-ethylpiperazine |
| InChI | InChI=1S/C12H16BrClN2/c1-2-15-5-7-16(8-6-15)10-3-4-11(13)12(14)9-10/h3-4,9H,2,5-8H2,1H3 |
| InChI Key | CZPOPTXZINVAQU-UHFFFAOYSA-N |
| MDL Number | MFCD23699489 |
| Molecular Formula | C12H16BrClN2 |
| Molecular Weight | 303.6258 |
| SMILES | CCN1CCN(CC1)c1ccc(c(c1)Cl)Br |
| Synonyms | 1-(4-BROMO-3-CHLOROPHENYL)-4-ETHYLPIPERAZINE,
1426958-32-8,
C12H16BrClN2,
KM3587,
ZINC95217860,
AKOS026673370,
V3213,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.628g/mol |
| Monoisotopic Mass | 302.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number