1H-Imidazole, 1-(4-(2,4-dichlorophenyl)-2-(2-propenyloxy)butyl)-, mononitrate

HCID 3045882

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Basic information

CAS: 61258-37-5
Standard SMILES: C=CCOC(CCc1ccc(Cl)cc1Cl)Cn1ccnc1.O=[N+]([O-])O
InChIKey: QYUBPQYOMQDGMO-UHFFFAOYSA-N
Molecular formula: C16H19Cl2N3O4
Average molar mass: 388.2 g/mol
Monoisotopic mass: 387.0752615

Names & identifiers

Preferred name: 1H-Imidazole, 1-(4-(2,4-dichlorophenyl)-2-(2-propenyloxy)butyl)-, mononitrate
IUPAC: 1-[4-(2,4-dichlorophenyl)-2-prop-2-enoxybutyl]imidazole;nitric acid

Names & synonyms

1-(4-(2,4-Dichlorophenyl)-2-(2-propenyloxy)butyl)-1H-imidazole nitrate61258-37-51H-Imidazole, 1-(4-(2,4-dichlorophenyl)-2-(2-propenyloxy)butyl)-, mononitrateRefChem:238009DTXSID00976756Nitric acid--1-{4-(2,4-dichlorophenyl)-2-[(prop-2-en-1-yl)oxy]butyl}-1H-imidazole (1/1)

Database identifiers

CAS: 61258-37-5
PubChem CID: 3045882
DTXSID: DTXSID00976756

Properties

Computed structural properties

Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 341

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