126867-23-0
Product Name:
2-ISOCYANATO-2-TRIFLUOROMETHYL-BENZO[1,3]DIOXOLE
Formula:
C9H4F3NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 231.13 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.01432748 g/mol |
| Monoisotopic Mass | 231.01432748 g/mol |
| Topological Polar Surface Area | 47.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 311 |
| 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 |