4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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![4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a43ce0686b704cce82f454b4b74f6721.png "4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid")
4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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CAS No:
496787-42-9
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Formula:
C16H12ClN3O3S
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Chemical Name:
4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
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Synonyms:
ZINC2351607;STK542781;AKOS005472583;MCULE-1469468567;4-[3-(5-chloro-2-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid;496787-42-9
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CAS No:
4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Basic Attributes
361.8 g/mol
361.0287901 g/mol
Computed Properties
Molecular Weight:361.8
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:361.0287901
Monoisotopic Mass:361.0287901
Topological Polar Surface Area:106
Heavy Atom Count:24
Complexity:537
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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