4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid
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![4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/74eff64fe7ac43eeb91c3cbd624b9fab.png "4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid")
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid
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CAS No:
380431-58-3
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Formula:
C10H8N4O4S
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Chemical Name:
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid
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Synonyms:
4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid;380431-58-3;ZINC3223819;AKOS000114537;MCULE-5744442102;NE34267;EN300-00095;AB00778860-01;SR-01000032094;SR-01000032094-1;Z56824474
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CAS No:
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid Basic Attributes
280.26 g/mol
280.02662592 g/mol
Computed Properties
Molecular Weight:280.26
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:280.02662592
Monoisotopic Mass:280.02662592
Topological Polar Surface Area:139
Heavy Atom Count:19
Complexity:364
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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