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58131-58-1 | 4-[(4-Methylphenyl)sulfonyl]-7-(1-oxylatopyridinium-2-ylthio)benzofurazane 1-oxide
CAS No: 58131-58-1 Catalog No: AG00F1DY MDL No:
Product Description
Catalog Number:
AG00F1DY
Chemical Name:
4-[(4-Methylphenyl)sulfonyl]-7-(1-oxylatopyridinium-2-ylthio)benzofurazane 1-oxide
CAS Number:
58131-58-1
IUPAC Name:
7-(4-methylphenyl)sulfonyl-3-oxido-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazol-3-ium
InChI:
InChI=1S/C18H13N3O5S2/c1-12-5-7-13(8-6-12)28(24,25)15-10-9-14(18-17(15)19-26-21(18)23)27-16-4-2-3-11-20(16)22/h2-11H,1H3
InChI Key:
RZZUPOIYDYFXCW-UHFFFAOYSA-N
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.03g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.438g/mol
Monoisotopic Mass:
415.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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