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111992-18-8

111992-18-8 structural image
Product Name: 2-(5-amino-2,4-dichlorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one)
Formula: C10H8Cl2F2N4O
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COMPUTED DESCRIPTORS

Molecular Weight 309.10 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 308.0043226 g/mol
Monoisotopic Mass 308.0043226 g/mol
Topological Polar Surface Area 61.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 409
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