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6961-57-5

6961-57-5 structural image
Product Name: 3-[2-Nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
Formula: C14H8F3NO4
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COMPUTED DESCRIPTORS

Molecular Weight 311.21 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 311.04054222 g/mol
Monoisotopic Mass 311.04054222 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 410
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