338407-38-8
Product Name:
2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-(1-METHYL-1H-PYRROL-2-YL)ACETONITRILE
Formula:
C13H9ClF3N3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 299.68 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 299.0437095 g/mol |
| Monoisotopic Mass | 299.0437095 g/mol |
| Topological Polar Surface Area | 41.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 392 |
| 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 |