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4-(4-Chlorophenyl)-1-imidazol-1-yl-(butan-[d5])-2-ol

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General Information
Catalog: BLP-007710
CAS: 1185063-39-1
Molecular Formula: C13H10D5ClN2O
Molecular Weight: 255.75

Chemical Structure

Description	An isotopic labelled impurity of butoconazole.
Synonyms	4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)(1,1,2,3,3-D5)butan-2-ol
IUPAC Name	4-(4-chlorophenyl)-1,1,2,3,3-pentadeuterio-1-imidazol-1-ylbutan-2-ol
Related CAS	67085-11-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])(CC1=CC=C(C=C1)Cl)C([2H])(C([2H])([2H])N2C=CN=C2)O
Canonical SMILES	C1=CC(=CC=C1CCC(CN2C=CN=C2)O)Cl
InChI	InChI=1S/C13H15ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2/i6D2,9D2,13D
InChI Key	YAHZVMVZBIMHGM-OMSVOULWSA-N
Purity	>98%
Solubility	Soluble in Chloroform, Dichloromethane, Methanol
Appearance	White Solid