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60207-93-4

60207-93-4 structural image
Product Name: ETACONAZOLE
Formula: C14H15Cl2N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2210.5 2218.9

COMPUTED DESCRIPTORS

Molecular Weight 328.2 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 327.0541321 g/mol
Monoisotopic Mass 327.0541321 g/mol
Topological Polar Surface Area 49.2 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 363
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Etaconazole is a member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and other crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, a cyclic ketal, a dioxolane, a member of triazoles, a conazole fungicide and a triazole fungicide.