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591234-14-9

591234-14-9 structural image
Product Name: 5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBALDEHYDE
Formula: C5H3F3N2O
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COMPUTED DESCRIPTORS

Molecular Weight 164.09 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 164.01974721 g/mol
Monoisotopic Mass 164.01974721 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 158
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