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861207-36-5

861207-36-5 structural image
Product Name: 4-(2-HYDROXYETHYL)-1-[(4-METHOXY-2-NITROPHENYL)SULFONYL]-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Formula: C13H15N3O7S
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COMPUTED DESCRIPTORS

Molecular Weight 357.34 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 357.06307100 g/mol
Monoisotopic Mass 357.06307100 g/mol
Topological Polar Surface Area 150 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 650
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