| CAS Number | 138993-21-2 |
| Catalog Number | AG01EL4R(AGN-PC-02K9XE) |
| Chemical Name | 3-Bromo-5-fluoro-1-benzothiophene |
| IUPAC Name | 3-bromo-5-fluoro-1-benzothiophene |
| InChI | InChI=1S/C8H4BrFS/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H |
| InChI Key | HORROOAXKGNKAY-UHFFFAOYSA-N |
| MDL Number | MFCD16293465 |
| Molecular Formula | C8H4BrFS |
| Molecular Weight | 231.0848 |
| SMILES | FC1=CC2=C(SC=C2Br)C=C1 |
| Synonyms | 138993-21-2,
3-bromo-5-fluorobenzo[b]thiophene,
SCHEMBL413347,
3-bromo-5-fluoro-benzothiophene,
HORROOAXKGNKAY-UHFFFAOYSA-N,
3-bromo-5-fluoro-1-benzothiophene,
Benzo[b]thiophene, 3-bromo-5-fluoro-,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number