338793-27-4
Product Name:
METHYL 3-(2-CHLOROPHENYL)-5-[2-(DIMETHYLAMINO)-1-(2,2,2-TRIFLUOROACETYL)VINYL]-4-ISOXAZOLECARBOXYLATE
Formula:
C17H14ClF3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.7 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 402.0594191 g/mol |
| Monoisotopic Mass | 402.0594191 g/mol |
| Topological Polar Surface Area | 72.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 597 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |