3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
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![3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/05c2abb697bd4fc3ab91e223ffb59cba.png "3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid")
3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
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CAS No:
315677-58-8
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Formula:
C13H8N4O4S
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Chemical Name:
3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
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Synonyms:
MLS000773622;CHEMBL1485186;HMS2759F22;ZINC3194144;AKOS001016788;MCULE-6824269710;SMR000364328;AB00647463-02;SR-01000506697;SR-01000506697-1;Z55986095;3-nitro-4-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}benzoic acid;315677-58-8
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CAS No:
3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid Basic Attributes
316.29 g/mol
316.02662592 g/mol
Computed Properties
Molecular Weight:316.29
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:316.02662592
Monoisotopic Mass:316.02662592
Topological Polar Surface Area:139
Heavy Atom Count:22
Complexity:446
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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