Chemical Properties of 1H-1,2,4-Triazole-1-ethanol, «beta»-((2,4-dichlorophenyl)methyl)-«alpha»-(1,1-dimethylethyl)-,(R*,R*)-(.+/-.)- (CAS 75736-33-3)

InChI

InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3

InChI Key

URDNHJIVMYZFRT-UHFFFAOYSA-N

Formula

C15H19Cl2N3O

SMILES

CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1

Molecular Weight¹

328.24

CAS

75736-33-3

Other Names

• 1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
• Diclobutrazol
• PP296
• Vigil
• Diclobutrazole
• Dichlobutrazol

• 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	-5.44		Crippen Calculated Property
logPoct/wat	3.776		Crippen Calculated Property
McVol	239.280	ml/mol	McGowan Calculated Property
Inp	[2191.00; 2201.00]
Inp	2191.00		NIST
Inp	2201.00		NIST

Similar Compounds

Find more compounds similar to 1H-1,2,4-Triazole-1-ethanol, «beta»-((2,4-dichlorophenyl)methyl)-«alpha»-(1,1-dimethylethyl)-,(R*,R*)-(.+/-.)-.

Sources

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

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