4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoylbenzoic acid
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4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoylbenzoic acid
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CAS No:
120749-13-5
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Formula:
C18H13N3O5S2
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Chemical Name:
4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoylbenzoic acid
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Synonyms:
4-(4-isothiocyanatephenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid;4-isothiocyanate-piretanide;4-Isothiocyanate-piretanide;120749-13-5;DTXSID60152998;4-(4-Isothiocyanatephenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid
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CAS No:
4-(4-isothiocyanatophenoxy)-3-pyrrol-1-yl-5-sulfamoylbenzoic acid Basic Attributes
415.4 g/mol
415.02966287 g/mol
DTXSID60152998
Computed Properties
Molecular Weight:415.4
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:415.02966287
Monoisotopic Mass:415.02966287
Topological Polar Surface Area:164
Heavy Atom Count:28
Complexity:705
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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