| CAS Number | 1034352-30-1 |
| Catalog Number | AG00945U(AGN-PC-0WQUJW) |
| Chemical Name | 2-Bromo-3-(2-ethylhexyl)-5-iodothiophene |
| IUPAC Name | 2-bromo-3-(2-ethylhexyl)-5-iodothiophene |
| InChI | InChI=1S/C12H18BrIS/c1-3-5-6-9(4-2)7-10-8-11(14)15-12(10)13/h8-9H,3-7H2,1-2H3 |
| InChI Key | VHAVRRSIFMAOTI-UHFFFAOYSA-N |
| MDL Number | MFCD28384136 |
| Molecular Formula | C12H18BrIS |
| Molecular Weight | 401.1448 |
| SMILES | IC1=CC(CC(CC)CCCC)=C(Br)S1 |
| Synonyms | 2-bromo-3-(2-ethylhexyl)-5-iodothiophene,
1034352-30-1,
2-Bromo-3-(2-ethylhexyl)-5-iodothiophene (stabilized with Copper chip),
SCHEMBL13724159,
MFCD28384136,
B4585,
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| Complexity | 177 |
| 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 | 6 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.1 |
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Certificate of Analysis
Lot Number