338406-82-9
Product Name:
METHYL 4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-(PHENYLSULFONYL)BUTANOATE
Formula:
C17H15ClF3NO4S
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COMPUTED DESCRIPTORS
Molecular Weight | 421.8 g/mol |
---|---|
XLogP3 | 3.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 7 |
Exact Mass | 421.0362413 g/mol |
Monoisotopic Mass | 421.0362413 g/mol |
Topological Polar Surface Area | 81.7 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 602 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |