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338395-91-8

338395-91-8 structural image
Product Name: METHYL 4-[(2-METHOXY-2-OXOETHYL)SULFANYL]-6-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLATE
Formula: C16H13F3N2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 402.3 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 7
Exact Mass 402.04972718 g/mol
Monoisotopic Mass 402.04972718 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 678
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