| CAS Number | 1695468-91-7 |
| Catalog Number | AG00HZBP(AGN-PC-0WOBL7) |
| Chemical Name | 1-(2-Bromo-5-iodophenyl)piperazine |
| IUPAC Name | 1-(2-bromo-5-iodophenyl)piperazine |
| InChI | InChI=1S/C10H12BrIN2/c11-9-2-1-8(12)7-10(9)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2 |
| InChI Key | WLNNXNIYLKHHPN-UHFFFAOYSA-N |
| MDL Number | MFCD28385187 |
| Molecular Formula | C10H12BrIN2 |
| Molecular Weight | 367.0242 |
| SMILES | Brc1ccc(cc1N1CCNCC1)I |
| Synonyms | 1-(2-Bromo-5-iodophenyl)piperazine,
1695468-91-7,
AKOS026671157,
ZINC217044102,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.028g/mol |
| Monoisotopic Mass | 365.923g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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