| CAS Number | 1085181-82-3 |
| Catalog Number | AG008Y0R(AGN-PC-0WNHBO) |
| Chemical Name | 2-Bromo-5-Iodo-3-N-Octylthiophene |
| IUPAC Name | 2-bromo-5-iodo-3-octylthiophene |
| InChI | InChI=1S/C12H18BrIS/c1-2-3-4-5-6-7-8-10-9-11(14)15-12(10)13/h9H,2-8H2,1H3 |
| InChI Key | WYOLKTBMZYMZBF-UHFFFAOYSA-N |
| MDL Number | MFCD28386093 |
| Molecular Formula | C12H18BrIS |
| Molecular Weight | 401.1448 |
| SMILES | CCCCCCCCC1=C(Br)SC(I)=C1 |
| Synonyms | 1085181-82-3,
2-Bromo-5-iodo-3-n-octylthiophene,
2-Bromo-5-iodo-3-n-octylthiophene (stabilized with Copper chip),
2-Bromo-3-octyl-5-iodothiophene,
MFCD28386093,
AKOS026671289,
ZINC263619109,
B4584,
J3.493.506H,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.144g/mol |
| Monoisotopic Mass | 399.936g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number