| CAS Number | 947149-96-4 |
| Catalog Number | AG01DM7Y |
| Chemical Name | 2-Bromo-4,5-dihydro-thieno[2,3-c]pyran-7-one |
| IUPAC Name | 2-bromo-4,5-dihydrothieno[2,3-c]pyran-7-one |
| InChI | InChI=1S/C7H5BrO2S/c8-5-3-4-1-2-10-7(9)6(4)11-5/h3H,1-2H2 |
| InChI Key | HOFWWWORAMEEBA-UHFFFAOYSA-N |
| MDL Number | MFCD20485646 |
| Molecular Formula | C7H5BrO2S |
| Molecular Weight | 233.0824 |
| SMILES | Brc1cc2CCOC(=O)c2s1 |
| Synonyms | 2-bromo-4,5-dihydro-thieno[2,3-c]pyran-7-one,
947149-96-4,
2-Bromo-4,5-dihydro-7h-thieno[2,3-c]pyran-7-one,
SCHEMBL4297259,
HOFWWWORAMEEBA-UHFFFAOYSA-N,
ZINC148606953,
CS-0059687,
FT-0754287,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.079g/mol |
| Monoisotopic Mass | 231.919g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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