954238-40-5
Product Name:
2-(3-BROMO-PHENYL)-4,4,4-TRIFLUORO-3-OXO-BUTYRONITRILE
Formula:
C10H5BrF3NO
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COMPUTED DESCRIPTORS
| Molecular Weight | 292.05 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 290.95066 g/mol |
| Monoisotopic Mass | 290.95066 g/mol |
| Topological Polar Surface Area | 40.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 320 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |