956950-76-8
Product Name:
ETHYL 3,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C15H15F3N2O2
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COMPUTED DESCRIPTORS
Molecular Weight | 312.29 g/mol |
---|---|
XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Exact Mass | 312.10856221 g/mol |
Monoisotopic Mass | 312.10856221 g/mol |
Topological Polar Surface Area | 44.1 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 403 |
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 |