3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-4-chlorobenzoic acid
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![3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-4-chlorobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3d5aa75fdf3b43e89383c368599ae71e.png "3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-4-chlorobenzoic acid")
3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-4-chlorobenzoic acid
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CAS No:
578698-42-7
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Formula:
C17H12ClN3O5S
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Chemical Name:
3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-4-chlorobenzoic acid
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Synonyms:
ZINC6129834;STK567625;AKOS005492966;AKOS032386157;(2E)-3-[5-(5-carboxy-2-chlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;578698-42-7
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CAS No:
3-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-4-chlorobenzoic acid Basic Attributes
405.8 g/mol
405.0186194 g/mol
Computed Properties
Molecular Weight:405.8
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:405.0186194
Monoisotopic Mass:405.0186194
Topological Polar Surface Area:155
Heavy Atom Count:27
Complexity:607
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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