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338749-77-2

338749-77-2 structural image
Product Name: 1-(1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-5-[4-(METHYLSULFONYL)PHENYL]-1H-PYRROL-3-YL)-2,2,2-TRIFLUORO-1-ETHANONE
Formula: C21H14ClF6NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 509.8 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 509.0287111 g/mol
Monoisotopic Mass 509.0287111 g/mol
Topological Polar Surface Area 64.5 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 819
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