900019-54-7
Product Name:
(E)-2-[(1-METHYL-1H-PYRROL-2-YL)CARBONYL]-3-[2-(TRIFLUOROMETHYL)PHENYL]-2-PROPENENITRILE
Formula:
C16H11F3N2O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 304.27 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 304.08234746 g/mol |
| Monoisotopic Mass | 304.08234746 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 503 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |