Ethanedioic acid, monoethyl ester, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)hydrazide

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Basic information

CAS: 75150-62-8
Standard SMILES: CCOC(=O)C(=O)NNc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey: KFKCRBBGZYQCKR-UHFFFAOYSA-N
Molecular formula: C17H13ClF3N3O6
Average molar mass: 447.7 g/mol
Monoisotopic mass: 447.0444973

Names & identifiers

Preferred name: Ethanedioic acid, monoethyl ester, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)hydrazide
IUPAC: ethyl 2-[2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]hydrazinyl]-2-oxoacetate

Names & synonyms

75150-62-8Ethanedioic acid, monoethyl ester, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)hydrazideDTXSID30226115Ethyl (2-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}hydrazin-1-yl)(oxo)acetate

Database identifiers

CAS: 75150-62-8
PubChem CID: 5488609
DTXSID: DTXSID30226115

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 122 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 633

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Compound notes

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