ethyl 3-(4-chlorophenyl)-2-cyano-2-methylpropanoate

CAS: 55417-41-9

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	315.0

Chemical Identifiers

CAS Number	55417-41-9
SMILES	`CCOC(=O)C(C)(CC1=CC=C(C=C1)Cl)C#N`
InChIKey	`VGBPJQYEZSKJML-UHFFFAOYSA-N`

📖 Product Overview

ethyl 3-(4-chlorophenyl)-2-cyano-2-methylpropanoate (CAS: 55417-41-9) 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-cyano-2-methylpropanoate. 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 315.0 InChI Key: VGBPJQYEZSKJML-UHFFFAOYSA-N. SMILES: CCOC(=O)C(C)(CC1=CC=C(C=C1)Cl)C#N.

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