5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzoic acid
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5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzoic acid
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CAS No:
554405-04-8
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Formula:
C9H6N4O4S
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Chemical Name:
5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzoic acid
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Synonyms:
5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzoic acid;554405-04-8;ZINC3886302;AKOS008966796;NE42667;EN300-05227;AB00717858-01;SR-01000039808;SR-01000039808-1;5-nitro-2-(4H-1,2,4-triazol-3-ylthio)benzoic acid;Z56896157;5-nitro-2-(4H-1,2,4-triazol-3-ylsulfanyl)benzoic acid
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CAS No:
5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzoic acid Basic Attributes
266.24 g/mol
266.01097586 g/mol
Computed Properties
Molecular Weight:266.24
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:266.01097586
Monoisotopic Mass:266.01097586
Topological Polar Surface Area:150
Heavy Atom Count:18
Complexity:337
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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