1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
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1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
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CAS No:
1017781-24-6
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Formula:
C17H20N2O2S
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Chemical Name:
1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
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Synonyms:
1-Cyclohexyl-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylic acid;1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
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CAS No:
1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID Basic Attributes
316.42
316.12500
DTXSID00679472
2933199090
Computed Properties
Molecular Weight:316.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:316.12454906
Monoisotopic Mass:316.12454906
Topological Polar Surface Area:80.4
Heavy Atom Count:22
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
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1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
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