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1024081-72-8

1024081-72-8 structural image
Product Name: 4-BROMO-3-((4-BROMOPHENOXY)METHYL)-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE
Formula: C17H14Br2N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 438.1 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 437.94015 g/mol
Monoisotopic Mass 435.94220 g/mol
Topological Polar Surface Area 32.8 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 469
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