Econazole nitrate structure

Econazole nitrate

1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

CAS: 24169-02-6
Molecular Formula C18H16Cl3N3O4
Molecular Weight 444.7 g/mol
Topological Polar Surface Area 93.1 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 443.02063
Heavy Atoms 28
Complexity 404.0

Chemical Identifiers

CAS Number 24169-02-6
SMILES C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
InChIKey DDXORDQKGIZAME-UHFFFAOYSA-N

📖 Product Overview

Econazole nitrate (CAS: 24169-02-6) is a chemical compound with molecular formula C18H16Cl3N3O4 and molecular weight 444.7 g/mol. Its IUPAC systematic name is 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid. Topological Polar Surface Area 93.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 443.02063 Heavy Atoms 28 Complexity 404.0 InChI Key: DDXORDQKGIZAME-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-].

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