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568544-05-8

568544-05-8 structural image
Product Name: 2-(2-CHLORO-PROPIONYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Formula: C15H20ClNO3S
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COMPUTED DESCRIPTORS

Molecular Weight 329.8 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 329.0852424 g/mol
Monoisotopic Mass 329.0852424 g/mol
Topological Polar Surface Area 83.6 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 406
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

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