930061-65-7
Product Name:
2-((4-METHYLPHENYL)SULFONYL)-3-(6-NITROBENZO[3,4-D]1,3-DIOXOLEN-5-YL)PROP-2-ENENITRILE
Formula:
C17H12N2O6S
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COMPUTED DESCRIPTORS
Molecular Weight | 372.4 g/mol |
---|---|
XLogP3 | 3.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Exact Mass | 372.04160728 g/mol |
Monoisotopic Mass | 372.04160728 g/mol |
Topological Polar Surface Area | 131 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 721 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |