4H-Thiopyran-4-one, tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-,1,1-dioxide


Chemical Name: 4H-Thiopyran-4-one, tetrahydro-3,5-bis[(4-nitrophenyl)methylene]-,1,1-dioxide
CAS Number: 108477-18-5
Product Number: AG00924H(AGN-PC-0OYJWM)
Synonyms:
MDL No:
Molecular Formula: C19H14N2O7S
Molecular Weight: 414.3887

Identification/Properties


Computed Properties
Molecular Weight:
414.388g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
414.052g/mol
Monoisotopic Mass:
414.052g/mol
Topological Polar Surface Area:
151A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
767
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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