| CAS Number | 1336893-15-2 |
| Catalog Number | AG009GME(AGN-PC-0WNR11) |
| Chemical Name | 2,6-Dibromo-4,8-bis((2-butyloctyl)oxy)benzo[1,2-b:4,5-b']dithiophene |
| IUPAC Name | 2,6-dibromo-4,8-bis(2-butyloctoxy)thieno[2,3-f][1]benzothiole |
| InChI | InChI=1S/C34H52Br2O2S2/c1-5-9-13-15-19-25(17-11-7-3)23-37-31-27-21-29(35)40-34(27)32(28-22-30(36)39-33(28)31)38-24-26(18-12-8-4)20-16-14-10-6-2/h21-22,25-26H,5-20,23-24H2,1-4H3 |
| InChI Key | XXZPBOPQASGASH-UHFFFAOYSA-N |
| MDL Number | MFCD29472521 |
| Molecular Formula | C34H52Br2O2S2 |
| Molecular Weight | 716.7135 |
| SMILES | BrC1=CC2=C(C(OCC(CCCCCC)CCCC)=C3C=C(SC3=C2OCC(CCCCCC)CCCC)Br)S1 |
| Synonyms | 1336893-15-2,
2,6-Dibromo-4,8-bis((2-butyloctyl)oxy)benzo[1,2-b:4,5-b']dithiophene,
2,6-Dibromo-4,8-bis[(2-butyl-n-octyl)oxy]benzo[1,2-b:4,5-b']dithiophene,
SCHEMBL17209488,
AKOS030528545,
D4592,
XXZPBOPQASGASH-UHFFFAOYSA-N,
|
| Complexity | 601 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 716.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 716.716g/mol |
| Monoisotopic Mass | 714.178g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 16.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number