343373-30-8
Product Name:
2-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-4-(4-ISOPROPYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Formula:
C18H14F3N5O5
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COMPUTED DESCRIPTORS
Molecular Weight | 437.3 g/mol |
---|---|
XLogP3 | 4.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 3 |
Exact Mass | 437.09470305 g/mol |
Monoisotopic Mass | 437.09470305 g/mol |
Topological Polar Surface Area | 128 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 718 |
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 |