| CAS Number | 924818-17-7 |
| Catalog Number | AG00GZNE(AGN-PC-0NMOQ7) |
| Chemical Name | 3-Bromo-2-(trifluoromethyl)thiophene |
| IUPAC Name | 3-bromo-2-(trifluoromethyl)thiophene |
| InChI | InChI=1S/C5H2BrF3S/c6-3-1-2-10-4(3)5(7,8)9/h1-2H |
| InChI Key | WAEYJGSTKDPCSW-UHFFFAOYSA-N |
| MDL Number | MFCD08437595 |
| Molecular Formula | C5H2BrF3S |
| Molecular Weight | 231.0336 |
| SMILES | c1csc(c1Br)C(F)(F)F |
| Synonyms | 3-bromo-2-(trifluoromethyl)thiophene,
924818-17-7,
3-Bromo-2-trifluoromethylthiophene,
SCHEMBL2935080,
CTK5I8814,
DTXSID40650149,
WAEYJGSTKDPCSW-UHFFFAOYSA-N,
MFCD08437595,
ZINC15442290,
AKOS026730316,
NE13819,
AK00491972,
CS-0063863,
EN300-79790,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number