| CAS Number | 925899-21-4 |
| Catalog Number | AG01E6JK(AGN-PC-0ONA7J) |
| Chemical Name | 2-Bromo-5-(2-ethylhexyl)thiophene |
| IUPAC Name | 2-bromo-5-(2-ethylhexyl)thiophene |
| InChI | InChI=1S/C12H19BrS/c1-3-5-6-10(4-2)9-11-7-8-12(13)14-11/h7-8,10H,3-6,9H2,1-2H3 |
| InChI Key | APAWTVKKPNTQRV-UHFFFAOYSA-N |
| MDL Number | MFCD28101692 |
| Molecular Formula | C12H19BrS |
| Molecular Weight | 275.2483 |
| SMILES | C(C(CCCC)CC)c1ccc(s1)Br |
| Synonyms | 2-Bromo-5-(2-ethylhexyl)thiophene,
925899-21-4,
AKOS024258949,
Thiophene, 2-bromo-5-(2-ethylhexyl)-,
SC-88838,
Thiophene,2-bromo-5-(2-ethylhexyl)-,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.248g/mol |
| Monoisotopic Mass | 274.039g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
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Certificate of Analysis
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