898788-04-0
Product Name:
4-(3,5-DITRIFLUOROMETHYLPHENYL)-4-OXOBUTYRIC ACID
Formula:
C12H8F6O3
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COMPUTED DESCRIPTORS
Molecular Weight | 314.18 g/mol |
---|---|
XLogP3 | 2.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Exact Mass | 314.03776309 g/mol |
Monoisotopic Mass | 314.03776309 g/mol |
Topological Polar Surface Area | 54.4 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 379 |
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 |