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685108-62-7

685108-62-7 structural image
Product Name: 5-[(4-CHLORO-3-NITROPHENYL)(HYDROXY)METHYL]-3-ETHYL-1,3-THIAZOLANE-2,4-DIONE
Formula: C12H11ClN2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 330.74 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 330.0077203 g/mol
Monoisotopic Mass 330.0077203 g/mol
Topological Polar Surface Area 129 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 457
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes