| CAS Number | 1221256-00-3 |
| Catalog Number | AG01C65M |
| Chemical Name | 4-(2,2,2-trifluoroethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| IUPAC Name | 4-(2,2,2-trifluoroethyl)thieno[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C9H6F3NO2S/c10-9(11,12)4-13-5-1-2-16-7(5)3-6(13)8(14)15/h1-3H,4H2,(H,14,15) |
| InChI Key | HITCJGHIRRMKFC-UHFFFAOYSA-N |
| MDL Number | MFCD29045945 |
| Molecular Formula | C9H6F3NO2S |
| Molecular Weight | 249.2096 |
| SMILES | OC(C1N(CC(F)(F)F)C2=C(SC=C2)C=1)=O |
| Synonyms | 4-(2,2,2-trifluoroethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid,
1221256-00-3,
SCHEMBL4109131,
AKOS026706376,
ZINC165922766,
F1907-0483,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.207g/mol |
| Monoisotopic Mass | 249.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number