| CAS Number | 1881925-70-7 |
| Catalog Number | AG01DW2O |
| Chemical Name | [4-(trifluoromethyl)thiophen-3-yl]methanol |
| IUPAC Name | [4-(trifluoromethyl)thiophen-3-yl]methanol |
| InChI | InChI=1S/C6H5F3OS/c7-6(8,9)5-3-11-2-4(5)1-10/h2-3,10H,1H2 |
| InChI Key | KEFOVXBXKLAKQS-UHFFFAOYSA-N |
| MDL Number | MFCD31617689 |
| Molecular Formula | C6H5F3OS |
| Molecular Weight | 182.1635 |
| SMILES | OCC1C(C(F)(F)F)=CSC=1 |
| Synonyms | [4-(trifluoromethyl)thiophen-3-yl]methanol,
1881925-70-7,
AKOS034170876,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.16g/mol |
| Monoisotopic Mass | 182.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number