Ethyl 3-[2-(2,4-dinitrophenyl)hydrazinylidene]butanoate

HCID 352149

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Basic information

CAS: 4093-60-1
Standard SMILES: CCOC(=O)CC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey: QQBHYGJZFSQZCQ-UHFFFAOYSA-N
Molecular formula: C12H14N4O6
Average molar mass: 310.26 g/mol
Monoisotopic mass: 310.09133418

Names & identifiers

Preferred name: Ethyl 3-[2-(2,4-dinitrophenyl)hydrazinylidene]butanoate
IUPAC: ethyl 3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate

Names & synonyms

4093-60-1DTXSID30326189HMS2631E13Butanoic acid,3-[2-(2,4-dinitrophenyl)hydrazinylidene]-, ethyl esterDS-010588ethyl 3-[2-(2,4-dinitrophenyl)hydrazinylidene]butanoate

Database identifiers

CAS: 4093-60-1
PubChem CID: 352149
DTXSID: DTXSID30326189

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 142 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 456

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