| CAS Number | 178452-13-6 |
| Catalog Number | AG00IMGM(AGN-PC-0WQUMF) |
| Chemical Name | 2,5-Dibromo-3-hexadecylthiophene |
| IUPAC Name | 2,5-dibromo-3-hexadecylthiophene |
| InChI | InChI=1S/C20H34Br2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h17H,2-16H2,1H3 |
| InChI Key | KBLOMHRWQCLPTC-UHFFFAOYSA-N |
| MDL Number | MFCD30742899 |
| Molecular Formula | C20H34Br2S |
| Molecular Weight | 466.3570 |
| SMILES | CCCCCCCCCCCCCCCCC1=C(Br)SC(Br)=C1 |
| Synonyms | 2,5-Dibromo-3-hexadecylthiophene,
178452-13-6,
3-hexadecyl-2,5-dibromothiophene,
D5242,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 466.36g/mol |
| Monoisotopic Mass | 464.075g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 12 |
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Certificate of Analysis
Lot Number