2-[[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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![2-[[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cac48bb9654746d1b0d87e75888137d3.png "2-[[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid")
2-[[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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CAS No:
743439-42-1
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Formula:
C17H11BrF3N3O2S
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Chemical Name:
2-[[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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Synonyms:
2-{[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;743439-42-1;2-[[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic Acid;MLS000776657;CHEMBL1549575;HMS2668L03;ZINC2643564;STL307545;AKOS002205940;MCULE-2267469366;NE41607;SMR000371894;ST50134676;EN300-09059;Z55118944;2-{5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-ylthio}acet ic acid;({5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
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CAS No:
2-[[5-(2-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes
458.3 g/mol
456.97074 g/mol
Computed Properties
Molecular Weight:458.3
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:456.97074
Monoisotopic Mass:456.97074
Topological Polar Surface Area:93.3
Heavy Atom Count:27
Complexity:528
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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