321430-87-9
Product Name:
ETHYL 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-PYRROLE-2-CARBOXYLATE
Formula:
C13H10ClF3N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 318.68 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 318.0382897 g/mol |
| Monoisotopic Mass | 318.0382897 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 381 |
| 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 |