| CAS Number | 1423015-71-7 |
| Catalog Number | AG01A38J(AGN-PC-0WOU30) |
| Chemical Name | (1R)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | (1R)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C6H4BrF3OS/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5,11H/t5-/m0/s1 |
| InChI Key | LQPGUZRVDBHBJA-YFKPBYRVSA-N |
| MDL Number | MFCD22628540 |
| Molecular Formula | C6H4BrF3OS |
| Molecular Weight | 261.0596 |
| SMILES | O[C@H](C(F)(F)F)C1SC=C(Br)C=1 |
| Synonyms | (1R)-1-(4-bromothiophen-2-yl)-2,2,2-trifluoroethan-1-ol,
1423015-71-7,
ZINC43368002,
AKOS026743552,
(R)-1-(4-Bromo-2-thienyl)-2,2,2-trifluoroethanol,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.056g/mol |
| Monoisotopic Mass | 259.912g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number