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Ipconazole

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CAS Number
125225-28-7
Molecular Formula
C18H24ClN3O
Molecular Weight
333.86
API Name
Ipconazole

Chemical Information

Ipconazole

Ipconazole is a member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl, 4-chlorobenzyl and isopropyl substituents at positions 1, 2 and 5 respectively. Used to control a range of seed diseases in rice, vegetables and other, mainly non-food, crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of cyclopentanols, a tertiary alcohol, a member of triazoles, a member of monochlorobenzenes, a conazole fungicide and a triazole fungicide.

CAS Number125225-28-7
PubChem CID86211
IUPAC Name2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
Molecular FormulaC18H24ClN3O
Molecular Weight333.9
XLogP4.1
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity386
SMILES
CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
InChIKey
QTYCMDBMOLSEAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ipconazole
CAS: 125225-28-7
CID: 86211
Formula: C18H24ClN3O
MW: 333.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass333.1607901
Monoisotopic Mass333.1607901
Topological Polar Surface Area50.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-EI-00011Ipconazole
HY-W331786RIpconazole (Standard)
TRC-I739443-200MGIpconazole-d7
GTR19208256-01Ipconazole [ISO]
CS-T-103454Ipconazole-d4
LCS-62781000 ug/mL Ipconazole in HPLC Acetonitrile

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