| CAS Number | 1609047-47-3 |
| Catalog Number | AG01DD4E |
| Chemical Name | 4-bromo-2-(trifluoromethyl)-1-benzothiophene |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)-1-benzothiophene |
| InChI | InChI=1S/C9H4BrF3S/c10-6-2-1-3-7-5(6)4-8(14-7)9(11,12)13/h1-4H |
| InChI Key | HFZXZTYVXNZITI-UHFFFAOYSA-N |
| MDL Number | MFCD24848121 |
| Molecular Formula | C9H4BrF3S |
| Molecular Weight | 281.0923 |
| SMILES | FC(C1SC2=C(C(=CC=C2)Br)C=1)(F)F |
| Synonyms | 4-Bromo-2-(trifluoromethyl)-1-benzothiophene,
1609047-47-3,
SCHEMBL15700044,
HFZXZTYVXNZITI-UHFFFAOYSA-N,
SY129236,
4-bromo-2-trifluoromethylbenzo[b]thiophene,
MFCD24848121 (95%),
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.09g/mol |
| Monoisotopic Mass | 279.917g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number