Chemical Properties of difenoconazole-1

InChI

InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3

InChI Key

BQYJATMQXGBDHF-UHFFFAOYSA-N

Formula

C19H17Cl2N3O3

SMILES

CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1

Molecular Weight¹

406.26

Other Names

• Difenoconazole, isomer 1

• 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	-5.98		Crippen Calculated Property
logPoct/wat	4.665		Crippen Calculated Property
McVol	272.760	ml/mol	McGowan Calculated Property
Inp	[3017.00; 3019.00]
Inp	3017.00		NIST
Inp	3019.00		NIST

Similar Compounds

Find more compounds similar to difenoconazole-1.

Sources

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

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