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881041-11-8

881041-11-8 structural image
Product Name: 2-(2-FORMYL-1H-PYRROL-1-YL)-5-NITROBENZONITRILE
Formula: C12H7N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 241.20 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 241.04874109 g/mol
Monoisotopic Mass 241.04874109 g/mol
Topological Polar Surface Area 91.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 384
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