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ETACONAZOLE

CAS No.:
60207-93-4
Catalog Number:
AG00E9KH
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00E9KH
Chemical Name:
ETACONAZOLE
CAS Number:
60207-93-4
MDL Number:
MFCD00078700
IUPAC Name:
1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
InChI:
InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3
InChI Key:
DWRKFAJEBUWTQM-UHFFFAOYSA-N
EC Number:
262-107-0
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.054g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.193g/mol
Monoisotopic Mass:
327.054g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Characterization of type II ligands in CYP2C9 and CYP3A4. Journal of medicinal chemistry 20080327
Properties