436100-82-2
Product Name:
N-[2-(1,3-DIMETHYL-4-NITRO-1H-PYRAZOL-5-YL)VINYL]-4-(TRIFLUOROMETHOXY)ANILINE
Formula:
C14H13F3N4O3
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COMPUTED DESCRIPTORS
Molecular Weight | 342.27 g/mol |
---|---|
XLogP3 | 3.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 4 |
Exact Mass | 342.09397478 g/mol |
Monoisotopic Mass | 342.09397478 g/mol |
Topological Polar Surface Area | 84.9 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 461 |
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 |