| CAS Number | 87721-33-3 |
| Catalog Number | AG004JC9(AGN-PC-0MUC40) |
| Chemical Name | 2,5-Bis(trifluoromethyl)thiophene |
| IUPAC Name | 2,5-bis(trifluoromethyl)thiophene |
| InChI | InChI=1S/C6H2F6S/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h1-2H |
| InChI Key | POAZWYVLVJSZEO-UHFFFAOYSA-N |
| MDL Number | MFCD12922656 |
| Molecular Formula | C6H2F6S |
| Molecular Weight | 220.1355 |
| SMILES | S1C(C(F)(F)F)=CC=C1C(F)(F)F |
| Synonyms | 2,5-bis(trifluoromethyl)thiophene,
87721-33-3,
Thiophene, 2,5-bis(trifluoromethyl)-,
SCHEMBL16467611,
CTK2I2134,
DTXSID20431579,
ZINC33978903,
AKOS028111882,
FS-6571,
CID9837371,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.132g/mol |
| Monoisotopic Mass | 219.978g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number