Chemical Properties of 3,7-Dichloroquinoline-8-carboxylic acid, butyl ester

InChI

InChI=1S/C14H13Cl2NO2/c1-2-3-6-19-14(18)12-11(16)5-4-9-7-10(15)8-17-13(9)12/h4-5,7-8H,2-3,6H2,1H3

InChI Key

NYAZOYGALCLHAE-UHFFFAOYSA-N

Formula

C14H13Cl2NO2

SMILES

CCCCOC(=O)c1c(Cl)ccc2cc(Cl)cnc12

Molecular Weight¹

298.17

Other Names

• 3,7-Dichloroquinoline-8-carboxylic acid, n-butyl ester

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.91		Crippen Calculated Property
logPoct/wat	4.498		Crippen Calculated Property
McVol	206.800	ml/mol	McGowan Calculated Property
Inp	[2273.00; 2273.00]
Inp	2273.00		NIST
Inp	2273.00		NIST

Similar Compounds

Find more compounds similar to 3,7-Dichloroquinoline-8-carboxylic acid, butyl ester.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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