methyl (2Z)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
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methyl (2Z)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
structure -
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CAS No:
1164474-16-1
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Formula:
C15H15F3O3S
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Chemical Name:
methyl (2Z)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
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Synonyms:
MLS000594833;CHEMBL1517714;C15H15F3O3S;HMS2565P23;ZINC2372844;AKOS030516291;SMR000218078;1164474-16-1;2-[5-tert-Butyl-benzo[1,3]oxathiol-(2Z)-ylidene]-3,3,3-trifluoro-propionic acid methyl ester
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CAS No:
methyl (2Z)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate Basic Attributes
332.3 g/mol
332.06940000 g/mol
Computed Properties
Molecular Weight:332.3
XLogP3:4.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:332.06940000
Monoisotopic Mass:332.06940000
Topological Polar Surface Area:60.8
Heavy Atom Count:22
Complexity:479
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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