Ethyl 2-((4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)acetate

Name: Ethyl 2-((4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)acetate
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CAS No. 294853-35-3
Cat. No. CS-0559992
Molecule weight363.33
Purity≥98%
MDL No.None

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Ethyl 2-((4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)acetate|CS-0559992

Structure of 294853-35-3

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General Information

CAS No. 294853-35-3
Cat. No. CS-0559992
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₃F₄N₃O₂S
Molecular Weight 363.33
Synonym(s) ethyl 2-({4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
SMILES CCOC(=O)CSC1=NN=C(N1CC2=CC=C(C=C2)F)C(F)(F)F

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 57.01
LogP 3.1395
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Thioether

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 2-((4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)acetate

CAS No. 294853-35-3

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