| CAS Number | 147323-02-2 |
| Catalog Number | AG001EST(AGN-PC-0JU527) |
| Chemical Name | 4-{1-[4-(2-bromoethoxy)phenyl]-2-phenylbut-1-en-1-yl}phenol |
| IUPAC Name | 4-[1-[4-(2-bromoethoxy)phenyl]-2-phenylbut-1-enyl]phenol |
| InChI | InChI=1S/C24H23BrO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17H2,1H3 |
| InChI Key | CJOZMESSODTFHQ-UHFFFAOYSA-N |
| MDL Number | MFCD31692153 |
| Molecular Formula | C24H23BrO2 |
| Molecular Weight | 423.3422 |
| SMILES | CCC(=C(c1ccc(O)cc1)c1ccc(OCCBr)cc1)c1ccccc1 |
| Synonyms | 147323-02-2,
Phenol, 4-[1-[4-(2-bromoethoxy)phenyl]-2-phenyl-1-butenyl]-,
Phenol, 4-[(1Z)-1-[4-(2-bromoethoxy)phenyl]-2-phenyl-1-butenyl]-,
141776-98-9,
ACMC-20n0v3,
4-(1-(4-(2-Bromoethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol,
ACMC-20n555,
SCHEMBL18766687,
CTK0B2194,
CTK0B6587,
4-{1-[4-(2-bromo-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenol,
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| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.35g/mol |
| Monoisotopic Mass | 422.088g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 7.5 |
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Certificate of Analysis
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