ethyl 3-(4-chlorophenyl)-2-cyanobutanoate

CAS: 55417-58-8

Molecular Formula	`C13H14ClNO2`
Molecular Weight	251.71 g/mol
LogP	3.3
Topological Polar Surface Area	50.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	251.0713
Heavy Atoms	17
Complexity	302.0

Chemical Identifiers

CAS Number	55417-58-8
SMILES	`CCOC(=O)C(C#N)C(C)C1=CC=C(C=C1)Cl`
InChIKey	`WHQHRKUOVFPKHH-UHFFFAOYSA-N`

📖 Product Overview

ethyl 3-(4-chlorophenyl)-2-cyanobutanoate (CAS: 55417-58-8) is a chemical compound with molecular formula C13H14ClNO2 and molecular weight 251.71 g/mol. Its IUPAC systematic name is ethyl 3-(4-chlorophenyl)-2-cyanobutanoate. LogP 3.3 Topological Polar Surface Area 50.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 251.0713 Heavy Atoms 17 Complexity 302.0 InChI Key: WHQHRKUOVFPKHH-UHFFFAOYSA-N. SMILES: CCOC(=O)C(C#N)C(C)C1=CC=C(C=C1)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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