Chemical Properties of Fluquinconazole (CAS 136426-54-5)

InChI

InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H

InChI Key

IJJVMEJXYNJXOJ-UHFFFAOYSA-N

Formula

C16H8Cl2FN5O

SMILES

O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl

Molecular Weight¹

376.17

CAS

136426-54-5

Other Names

• 3-(2,4-Dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-one
• 3-(2,4-Dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-4(3H)-quinazolinone
• 4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-

• 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	-7.00		Crippen Calculated Property
logPoct/wat	3.412		Crippen Calculated Property
McVol	231.880	ml/mol	McGowan Calculated Property
Inp	[2729.00; 2729.00]
Inp	2729.00		NIST
Inp	2729.00		NIST

Similar Compounds

Find more compounds similar to Fluquinconazole.

Sources

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

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