| CAS Number | 1065184-25-9 |
| Catalog Number | AG00HAU9(AGN-PC-0WRAAJ) |
| Chemical Name | 4-Bromo-2-(propoxymethyl)thiophene |
| IUPAC Name | 4-bromo-2-(propoxymethyl)thiophene |
| InChI | InChI=1S/C8H11BrOS/c1-2-3-10-5-8-4-7(9)6-11-8/h4,6H,2-3,5H2,1H3 |
| InChI Key | LOBYZPFKBPPWAO-UHFFFAOYSA-N |
| MDL Number | MFCD16095176 |
| Molecular Formula | C8H11BrOS |
| Molecular Weight | 235.1413 |
| SMILES | CCCOCc1cc(cs1)Br |
| Synonyms | 4-bromo-2-(propoxymethyl)thiophene,
1065184-25-9,
SCHEMBL10211522,
ZINC43687638,
AKOS011014635,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.139g/mol |
| Monoisotopic Mass | 233.971g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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