860650-17-5
Product Name:
DIMETHYL 2-[1-(3-CHLOROPHENYL)-3-OXO-3-(2-THIENYL)PROPYL]MALONATE
Formula:
C18H17ClO5S
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COMPUTED DESCRIPTORS
Molecular Weight | 380.8 g/mol |
---|---|
XLogP3 | 3.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 9 |
Exact Mass | 380.0485225 g/mol |
Monoisotopic Mass | 380.0485225 g/mol |
Topological Polar Surface Area | 97.9 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 482 |
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 |