250261-39-3
Product Name:
ETHYL 2-CHLORO-3,3,3-TRIFLUORO-2-ISOCYANATOPROPANOATE
Formula:
C6H5ClF3NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 231.56 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 230.9910052 g/mol |
| Monoisotopic Mass | 230.9910052 g/mol |
| Topological Polar Surface Area | 55.7 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 274 |
| 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 |