2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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![2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c1ecb70facef4981b7ed6c2006cc6d4f.png "2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid")
2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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CAS No:
851468-07-0
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Formula:
C18H22ClN3O3S
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Chemical Name:
2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
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Synonyms:
2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;851468-07-0;HMS1727B12;ZINC3354127;AKOS034448436;MCULE-6505238631;NE38712;2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid;EN300-12049;Z55903608;2-({5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
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CAS No:
2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Basic Attributes
395.9 g/mol
395.1070404 g/mol
Computed Properties
Molecular Weight:395.9
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:395.1070404
Monoisotopic Mass:395.1070404
Topological Polar Surface Area:103
Heavy Atom Count:26
Complexity:467
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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