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42456-75-7

42456-75-7 structural image
Product Name: 1-(5-CHLORO-4-NITRO-2-THIENYL)ETHAN-1-ONE
Formula: C6H4ClNO3S
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COMPUTED DESCRIPTORS

Molecular Weight 205.62 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 204.9600419 g/mol
Monoisotopic Mass 204.9600419 g/mol
Topological Polar Surface Area 91.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 217
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