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946697-36-5

946697-36-5 structural image
Product Name: 4-(ISOPENTYLOXY)-3-(TRIFLUOROMETHYL)ANILINE
Formula: C12H16F3NO
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COMPUTED DESCRIPTORS

Molecular Weight 247.26 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 247.11839862 g/mol
Monoisotopic Mass 247.11839862 g/mol
Topological Polar Surface Area 35.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 230
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