| CAS Number | 1030471-18-1 |
| Catalog Number | AG01EQMR(AGN-PC-3H47B4) |
| Chemical Name | 1-Isopropoxy-4-(trifluoromethoxy)-benzene |
| IUPAC Name | 1-propan-2-yloxy-4-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C10H11F3O2/c1-7(2)14-8-3-5-9(6-4-8)15-10(11,12)13/h3-7H,1-2H3 |
| InChI Key | QISMBOWZVGNRFY-UHFFFAOYSA-N |
| MDL Number | MFCD09998157 |
| Molecular Formula | C10H11F3O2 |
| Molecular Weight | 220.1883 |
| SMILES | C1(OC(C)C)C=CC(OC(F)(F)F)=CC=1 |
| Synonyms | 1-Isopropoxy-4-(trifluoromethoxy)-benzene,
1030471-18-1,
SCHEMBL13111204,
ZINC39566097,
AKOS026671446,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.191g/mol |
| Monoisotopic Mass | 220.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number