| CAS Number | 1261747-75-4 |
| Catalog Number | AG01A4CS |
| Chemical Name | 5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid |
| IUPAC Name | 5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H7F3O3S/c13-12(14,15)18-8-3-1-2-7(6-8)9-4-5-10(19-9)11(16)17/h1-6H,(H,16,17) |
| InChI Key | QXAXDPBEGZAJOF-UHFFFAOYSA-N |
| MDL Number | MFCD17142616 |
| Molecular Formula | C12H7F3O3S |
| Molecular Weight | 288.2424 |
| SMILES | OC(C1SC(C2=CC(OC(F)(F)F)=CC=C2)=CC=1)=O |
| Synonyms | 5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid,
1261747-75-4,
SCHEMBL5844471,
ZINC61703063,
AKOS012214902,
MCULE-2195049167,
NE26877,
Z1578578193,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.24g/mol |
| Monoisotopic Mass | 288.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number