| CAS Number | 1194374-08-7 |
| Catalog Number | AG01AFM8(AGN-PC-0WO4TB) |
| Chemical Name | 4-Bromo-2-(Trifluoromethyl)Thiophene |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)thiophene |
| InChI | InChI=1S/C5H2BrF3S/c6-3-1-4(10-2-3)5(7,8)9/h1-2H |
| InChI Key | GTYDKQRTQVTLQC-UHFFFAOYSA-N |
| MDL Number | MFCD14525457 |
| Molecular Formula | C5H2BrF3S |
| Molecular Weight | 231.0336 |
| SMILES | FC(C1=CC(Br)=CS1)(F)F |
| Synonyms | 4-BROMO-2-(TRIFLUOROMETHYL)THIOPHENE,
1194374-08-7,
SCHEMBL20547211,
ZINC44831783,
AKOS024100310,
AB70495,
FS-6316,
NE22252,
DB-061562,
FT-0770292,
Z2471214712,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.03g/mol |
| Monoisotopic Mass | 229.901g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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