252026-98-5
Product Name:
METHYL 3-[4-NITRO-2-(TRIFLUOROMETHYL)PHENOXY]-2-THIOPHENECARBOXYLATE
Formula:
C13H8F3NO5S
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COMPUTED DESCRIPTORS
Molecular Weight | 347.27 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Exact Mass | 347.00752802 g/mol |
Monoisotopic Mass | 347.00752802 g/mol |
Topological Polar Surface Area | 110 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 456 |
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 |