860786-92-1
Product Name:
METHYL 2-([(4-METHYLPHENYL)SULFONYL]METHYL)-3-NITROBENZENECARBOXYLATE
Formula:
C16H15NO6S
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COMPUTED DESCRIPTORS
Molecular Weight | 349.4 g/mol |
---|---|
XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 349.06200837 g/mol |
Monoisotopic Mass | 349.06200837 g/mol |
Topological Polar Surface Area | 115 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 556 |
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 |