ethyl 6,6-dibromo-7-oxo-2-(propionylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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ethyl 6,6-dibromo-7-oxo-2-(propionylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
113407-91-3
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Formula:
C14H15Br2NO4S
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Chemical Name:
ethyl 6,6-dibromo-7-oxo-2-(propionylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ethyl 6,6-dibromo-7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ZINC8453908;BBL001894;MFCD00406489;STK279853;AKOS005426263;MCULE-1056066778;VS-00922;T8552;ethyl 6,6-dibromo-7-oxo-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
ethyl 6,6-dibromo-7-oxo-2-(propionylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
453.1462
452.907
Computed Properties
Molecular Weight:453.1
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:452.90680
Monoisotopic Mass:450.90885
Topological Polar Surface Area:101
Heavy Atom Count:22
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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