| CAS Number | 214493-03-5 |
| Catalog Number | AG00C4EG(AGN-PC-00INZH) |
| Chemical Name | 5,5'-Dibromo-4,4'-dihexyl-2,2'-bithiophene |
| IUPAC Name | 2-bromo-5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophene |
| InChI | InChI=1S/C20H28Br2S2/c1-3-5-7-9-11-15-13-17(23-19(15)21)18-14-16(20(22)24-18)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3 |
| InChI Key | MWUMRWQISLASDX-UHFFFAOYSA-N |
| MDL Number | MFCD28386098 |
| Molecular Formula | C20H28Br2S2 |
| Molecular Weight | 492.3743 |
| SMILES | BrC1=C(CCCCCC)C=C(C2=CC(CCCCCC)=C(Br)S2)S1 |
| Synonyms | 5,5'-dibromo-4,4'-dihexyl-2,2'-bithiophene,
214493-03-5,
SCHEMBL329156,
MFCD28386098,
2,2'-Bi(4-hexyl-5-bromothiophene),
ZINC113591290,
D4184,
CID11953640,
2-bromo-5-(5-bromo-4-hexyl-thiophen-2-yl)-3-hexyl-thiophene,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 491.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 492.372g/mol |
| Monoisotopic Mass | 490g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 11 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number