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Myclobutanil-[phenyl-d4]

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General Information
Catalog: BLP-008802
Molecular Formula: C15H13D4ClN4
Molecular Weight: 292.80

Chemical Structure

Description	A labelled analogue of Myclobutanil. Myclobutanil is a triazole fungicide and a steroid demethylation inhibitor.
Synonyms	α-Butyl-α-(4-chlorophenyl-d4)-1H-1,2,4-triazole-1-propanenitrile
IUPAC Name	2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Related CAS	88671-89-0 (unlabelled)
Canonical SMILES	CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
InChI	InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3/i4D,5D,6D,7D
InChI Key	HZJKXKUJVSEEFU-UGWFXTGHSA-N
Boiling Point	465.2±55.0°C at 760 mmHg
Density	1.2±0.1 g/cm3
Storage	Store at -20°C