[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate
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![[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fbf1b29373db4b0686b3ab88b473abfc.png "[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate")
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate
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CAS No:
1164482-00-1
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Formula:
C21H15NO5S
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Chemical Name:
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate
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Synonyms:
1164482-00-1;(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate;(2Z)-3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzene-1-sulfonate;MLS000559454;CHEMBL1494998;HMS2450G15;ZINC5377553;STK850988;AKOS002218360;SMR000149570;ST50475021;F3385-2462;3-oxo-2-(3-pyridylmethylene)benzo[3,4-b]furan-6-yl 4-methylbenzenesulfonate;(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate;Toluene-4-sulfonic acid 3-oxo-2-[1-pyridin-3-yl-meth-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester
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CAS No:
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Basic Attributes
393.4 g/mol
393.06709375 g/mol
Computed Properties
Molecular Weight:393.4
XLogP3:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:393.06709375
Monoisotopic Mass:393.06709375
Topological Polar Surface Area:90.9
Heavy Atom Count:28
Complexity:705
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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