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220652-98-2

220652-98-2 structural image
Product Name: 3-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]ISOXAZOLE-4-CARBOXYLIC ACID
Formula: C12H8F3NO3
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COMPUTED DESCRIPTORS

Molecular Weight 271.19 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 271.04562760 g/mol
Monoisotopic Mass 271.04562760 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 340
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