| CAS Number | 1050909-79-9 |
| Catalog Number | AG019LK0 |
| Chemical Name | 1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine |
| IUPAC Name | 1-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazine |
| InChI | InChI=1S/C15H17BrN2S/c16-13-3-1-12(2-4-13)15-6-5-14(19-15)11-18-9-7-17-8-10-18/h1-6,17H,7-11H2 |
| InChI Key | XKPVNORDQKPEBW-UHFFFAOYSA-N |
| MDL Number | MFCD09971506 |
| Molecular Formula | C15H17BrN2S |
| Molecular Weight | 337.2779 |
| SMILES | BrC1=CC=C(C2SC(CN3CCNCC3)=CC=2)C=C1 |
| Synonyms | 1-{[5-(4-bromophenyl)thiophen-2-yl]methyl}piperazine,
1050909-79-9,
1-{[5-(4-bromophenyl)thien-2-yl]methyl}piperazine,
CTK5I7243,
ZINC22934459,
AKOS034229655,
MCULE-9592480213,
NE22837,
EN300-31526,
Z359419762,
AC1Q24OU,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.02958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.3g/mol |
| Monoisotopic Mass | 336.02958g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number