| CAS Number | 826995-66-8 |
| Catalog Number | AG004WMP(AGN-PC-0JE9TR) |
| Chemical Name | 4-Bromo-5-fluoro-1-benzothiophene |
| IUPAC Name | 4-bromo-5-fluoro-1-benzothiophene |
| InChI | InChI=1S/C8H4BrFS/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4H |
| InChI Key | UTTXDQNAXUGSDF-UHFFFAOYSA-N |
| MDL Number | MFCD23705322 |
| Molecular Formula | C8H4BrFS |
| Molecular Weight | 231.0848 |
| SMILES | FC1=C(Br)C2=C(SC=C2)C=C1 |
| Synonyms | 4-Bromo-5-fluoro-1-benzothiophene,
826995-66-8,
Benzo[b]thiophene, 4-bromo-5-fluoro-,
SCHEMBL16048277,
CTK3D7921,
DTXSID70837224,
ZINC90558512,
AKOS028110530,
Z2509351204,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.082g/mol |
| Monoisotopic Mass | 229.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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