| CAS Number | 1447913-56-5 |
| Catalog Number | AG00HX7V(AGN-PC-0WG47G) |
| Chemical Name | 3-Thiophenemethanol, 5-(trifluoromethyl)- |
| IUPAC Name | [5-(trifluoromethyl)thiophen-3-yl]methanol |
| InChI | InChI=1S/C6H5F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3,10H,2H2 |
| InChI Key | JHPPIFOSKSRKDK-UHFFFAOYSA-N |
| MDL Number | MFCD28362361 |
| Molecular Formula | C6H5F3OS |
| Molecular Weight | 182.1635 |
| SMILES | C(F)(F)(F)c1cc(cs1)CO |
| Synonyms | 1447913-56-5,
(5-Trifluoromethyl-thiophen-3-yl)-methanol,
[5-(trifluoromethyl)thiophen-3-yl]methanol,
(5-(Trifluoromethyl)thiophen-3-yl)methanol,
3-Thiophenemethanol, 5-(trifluoromethyl)-,
SCHEMBL8550657,
JHPPIFOSKSRKDK-UHFFFAOYSA-N,
MFCD28362361,
ZINC149145595,
(5-(Trifluoromethyl)-3-thienyl)methanol,
AS-40195,
CS-0035493,
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| 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 |
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Certificate of Analysis
Lot Number