| CAS Number | 534-39-4 |
| Catalog Number | AG00DVZR(AGN-PC-0WBSCQ) |
| Chemical Name | 2-[4-Fluoro-3-(trifluoromethyl)phenyl]propan-2-OL |
| IUPAC Name | 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol |
| InChI | InChI=1S/C10H10F4O/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5,15H,1-2H3 |
| InChI Key | QQNITPNLHMKSLF-UHFFFAOYSA-N |
| MDL Number | MFCD11226509 |
| Molecular Formula | C10H10F4O |
| Molecular Weight | 222.1794 |
| SMILES | CC(C1=CC(C(F)(F)F)=C(F)C=C1)(O)C |
| Synonyms | 2-[4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]PROPAN-2-OL,
534-39-4,
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propanol,
SCHEMBL5018994,
C10H10F4O,
CTK7C1174,
5092AE,
BBL100811,
MFCD11226509,
STL554605,
ZINC30714937,
AKOS005255416,
TR-055173,
X-4021,
ACN-042018,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.183g/mol |
| Monoisotopic Mass | 222.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number