267880-84-2
Product Name:
3-OXO-3-(3-METHYL-5-TRIFLUOROMETHYLPHENYL)-PROPIONITRILE
Formula:
C11H8F3NO
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COMPUTED DESCRIPTORS
| Molecular Weight | 227.18 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 227.05579836 g/mol |
| Monoisotopic Mass | 227.05579836 g/mol |
| Topological Polar Surface Area | 40.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 315 |
| 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 |