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104601-39-0

104601-39-0 structural image
Product Name: 4-PHENYLDIBENZOTHIOPHENE
Formula: C31H17N3O7S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 405.68

COMPUTED DESCRIPTORS

Molecular Weight 260.4 g/mol
XLogP3 5.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 260.06597156 g/mol
Monoisotopic Mass 260.06597156 g/mol
Topological Polar Surface Area 28.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 307
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