| CAS Number | 83663-39-2 |
| Catalog Number | AG01DWP9(AGN-PC-0NKAXD) |
| Chemical Name | 3-Bromo-4-ethylthiophene |
| IUPAC Name | 3-bromo-4-ethylthiophene |
| InChI | InChI=1S/C6H7BrS/c1-2-5-3-8-4-6(5)7/h3-4H,2H2,1H3 |
| InChI Key | JWJMTWJFLICWGJ-UHFFFAOYSA-N |
| MDL Number | MFCD28015602 |
| Molecular Formula | C6H7BrS |
| Molecular Weight | 191.0888 |
| SMILES | CCC1C(Br)=CSC=1 |
| Synonyms | 3-bromo-4-ethylthiophene,
83663-39-2,
Thiophene, 3-bromo-4-ethyl-,
SCHEMBL6967766,
JWJMTWJFLICWGJ-UHFFFAOYSA-N,
|
| Complexity | 74.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.086g/mol |
| Monoisotopic Mass | 189.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number