[cyano-(3-phenoxyphenyl)methyl] 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate

CAS: 69409-94-5

Molecular Formula	`C26H22ClF3N2O3`
Molecular Weight	502.9 g/mol
LogP	7.7
Topological Polar Surface Area	71.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	502.1271
Heavy Atoms	35
Complexity	735.0

Chemical Identifiers

CAS Number	69409-94-5
SMILES	`CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl`
InChIKey	`INISTDXBRIBGOC-UHFFFAOYSA-N`

📖 Product Overview

[cyano-(3-phenoxyphenyl)methyl] 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate (CAS: 69409-94-5) is a chemical compound with molecular formula C26H22ClF3N2O3 and molecular weight 502.9 g/mol. Its IUPAC systematic name is [cyano-(3-phenoxyphenyl)methyl] 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate. LogP 7.7 Topological Polar Surface Area 71.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 502.1271 Heavy Atoms 35 Complexity 735.0 InChI Key: INISTDXBRIBGOC-UHFFFAOYSA-N. SMILES: CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [cyano-(3-phenoxyphenyl)methyl] 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate.

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