Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate

Name: Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate
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CAS No. 180267-18-9
Cat. No. CS-0539923
Molecule weight257.21
Purity≥98%
MDL No.None

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Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate|CS-0539923

Structure of 180267-18-9

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General Information

CAS No. 180267-18-9
Cat. No. CS-0539923
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₀F₃NO₂
Molecular Weight 257.21
Synonym(s) Benzeneacetic acid, α-cyano-4-(trifluoromethyl)-, ethyl ester
SMILES CCOC(=O)C(C#N)C1=CC=C(C=C1)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 50.09
LogP 2.87568
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate

CAS No. 180267-18-9

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