730971-48-9
Product Name:
METHYL-3-ISOCYANO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONATE
Formula:
C12H10F3NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 257.21 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 257.06636305 g/mol |
| Monoisotopic Mass | 257.06636305 g/mol |
| Topological Polar Surface Area | 30.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 337 |
| 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 |