Chemical Properties of Tebuconazole (CAS 107534-96-3)

InChI

InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

InChI Key

PXMNMQRDXWABCY-UHFFFAOYSA-N

Formula

C16H22ClN3O

SMILES

CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1

Molecular Weight¹

307.82

CAS

107534-96-3

Other Names

«alpha»-(2-(4-Chlorophenyl)ethyl)-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
1H-1,2,4-Triazole-1-ethanol, «alpha»-(2-(4-chlorophenyl)ethyl)-«alpha»-(1,1-dimethylethyl)-, (.+/-.)-
BAY-HWG 1608
(.+/-.)-«alpha»-[2-(4-Chlorophenyl)ethyl]-«alpha»-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
(RS)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
Corail
Elite
Ethyltrianol
Fenetrazole
Folicur
Horizon
Horizont
HWG 1608
Lynx
Raxil
Terbuconazole
Terbutrazole
Tebuconazol
(.+/-.)-Tebuconazole
Etiltrianol
Preventol A 8
1H-1,2,4-Triazole-1-ethanol, «alpha»-[2-(4-chlorophenyl)ethyl]-«alpha»-(1,1-dimethylethyl)-
*

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.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-5.21		Crippen Calculated Property
logP_oct/wat	3.341		Crippen Calculated Property
McVol	241.130	ml/mol	McGowan Calculated Property
I_np	[2397.00; 2421.00]
I_np	2421.00		NIST
I_np	2421.00		NIST
I_np	2397.00		NIST
I_np	2398.00		NIST
I_np	2397.00		NIST
I_np	2421.00		NIST

Similar Compounds

Find more compounds similar to Tebuconazole.

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