175204-05-4
Product Name:
2-ISOPROPOXY-6-(2,2,2-TRIFLUOROETHOXY)BENZONITRILE
Formula:
C12H12F3NO2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 259.22 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 259.08201311 g/mol |
| Monoisotopic Mass | 259.08201311 g/mol |
| Topological Polar Surface Area | 42.2 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 308 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |