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21172-31-6

21172-31-6 structural image
Product Name: 2-(3-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE
Formula: C9H7F3O
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COMPUTED DESCRIPTORS

Molecular Weight 188.15 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 188.04489933 g/mol
Monoisotopic Mass 188.04489933 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 176
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