| CAS Number | 1420977-70-3 |
| Catalog Number | AG01FC0E(AGN-PC-3H49KK) |
| Chemical Name | [3,5-Bis(trifluoromethyl)phenoxy]propane |
| IUPAC Name | 1-propoxy-3,5-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C11H10F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h4-6H,2-3H2,1H3 |
| InChI Key | MQAXEOKVHDKGBQ-UHFFFAOYSA-N |
| MDL Number | MFCD28396341 |
| Molecular Formula | C11H10F6O |
| Molecular Weight | 272.1869 |
| SMILES | FC(C=1C=C(OCCC)C=C(C1)C(F)(F)F)(F)F |
| Synonyms | [3,5-Bis(trifluoromethyl)phenoxy]propane,
1420977-70-3,
SCHEMBL13481295,
ZINC196999525,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.19g/mol |
| Monoisotopic Mass | 272.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number