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1008018-98-1

1008018-98-1 structural image
Product Name: 4-(4-CHLOROPHENYL)-2-(4-FLUOROANILINO)-4-OXOBUTANOIC ACID
Formula: C16H13ClFNO3
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COMPUTED DESCRIPTORS

Molecular Weight 321.73 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 321.0567991 g/mol
Monoisotopic Mass 321.0567991 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 391
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes