| CAS Number | 2007909-70-6 |
| Catalog Number | AG01EFNA |
| Chemical Name | 1-(4-Bromo-3-Fluorobenzyl)-4-Isopropylpiperazine |
| IUPAC Name | 1-[(4-bromo-3-fluorophenyl)methyl]-4-propan-2-ylpiperazine |
| InChI | InChI=1S/C14H20BrFN2/c1-11(2)18-7-5-17(6-8-18)10-12-3-4-13(15)14(16)9-12/h3-4,9,11H,5-8,10H2,1-2H3 |
| InChI Key | XHRJOYXEPWWLCK-UHFFFAOYSA-N |
| MDL Number | MFCD30471808 |
| Molecular Formula | C14H20BrFN2 |
| Molecular Weight | 315.2244 |
| SMILES | CC(N1CCN(CC1)Cc1ccc(c(c1)F)Br)C |
| Synonyms | 1-(4-Bromo-3-fluorobenzyl)-4-isopropylpiperazine,
2007909-70-6,
MFCD30471808,
ZINC349803276,
CS-0039610,
Piperazine, 1-[(4-bromo-3-fluorophenyl)methyl]-4-(1-methylethyl)-,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.23g/mol |
| Monoisotopic Mass | 314.079g/mol |
| Rotatable Bond Count | 3 |
| 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
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