2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Name: 2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid
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CAS No. 851468-07-0
Cat. No. CS-0224695
Purity≥95%
MDL No.None

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2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid|CS-0224695

Structure of 851468-07-0

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General Information

CAS No. 851468-07-0
Cat. No. CS-0224695
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₂ClN₃O₃S
Molecular Weight 395.90
Synonym(s) Acetic acid, 2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-4H-1,2,4-triazol-3-yl]thio]
SMILES O=C(O)CSC1=NN=C(COC2=CC=C(Cl)C=C2C)N1C3CCCCC3

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 77.24
LogP 4.50082
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 7

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ether

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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2-{[5-(4-chloro-2-methylphenoxymethyl)-4-cyclohexyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No. 851468-07-0

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