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175278-42-9

175278-42-9 structural image
Product Name: 2-[(4-METHYLPHENYL)THIO]-5-NITROBENZALDEHYDE
Formula: C14H11NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 273.31 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 273.04596439 g/mol
Monoisotopic Mass 273.04596439 g/mol
Topological Polar Surface Area 88.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 323
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