| CAS Number | 1260670-71-0 |
| Catalog Number | AG009JOY(AGN-PC-0WAL5F) |
| Chemical Name | [5-(Trifluoromethyl)thien-2-yl]methanol |
| IUPAC Name | [5-(trifluoromethyl)thiophen-2-yl]methanol |
| InChI | InChI=1S/C6H5F3OS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2,10H,3H2 |
| InChI Key | INNKKSJCGPMIIL-UHFFFAOYSA-N |
| MDL Number | MFCD18250218 |
| Molecular Formula | C6H5F3OS |
| Molecular Weight | 182.1635 |
| SMILES | OCC1SC(C(F)(F)F)=CC=1 |
| Synonyms | 1260670-71-0,
(5-(Trifluoromethyl)thiophen-2-yl)methanol,
[5-(TRIFLUOROMETHYL)THIEN-2-YL]METHANOL,
[5-(TRIFLUOROMETHYL)THIOPHEN-2-YL]METHANOL,
SCHEMBL125911,
INNKKSJCGPMIIL-UHFFFAOYSA-N,
ZINC95762205,
AB72559,
(5-(trifluoromethyl)-2-thienyl)methanol,
2-Thiophenemethanol, 5-(trifluoromethyl)-,
DB-095073,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.00132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.17g/mol |
| Monoisotopic Mass | 182.00132g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number