Ethyl 2-(4-nitro-2-(2,3,4-trichlorophenyl)pyrazol-3-yl)oxypropanoate

HCID 189552

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Basic information

CAS: 118237-10-8
Standard SMILES: CCOC(=O)C(C)Oc1c([N+](=O)[O-])cnn1-c1ccc(Cl)c(Cl)c1Cl
InChIKey: JXNKSAWEENIOOM-UHFFFAOYSA-N
Molecular formula: C14H12Cl3N3O5
Average molar mass: 408.6 g/mol
Monoisotopic mass: 406.984254

Names & identifiers

Preferred name: Ethyl 2-(4-nitro-2-(2,3,4-trichlorophenyl)pyrazol-3-yl)oxypropanoate
IUPAC: ethyl 2-[4-nitro-1-(2,3,4-trichlorophenyl)pyrazol-5-yl]oxypropanoate

Names & synonyms

118237-10-8ethyl 2-{[4-nitro-1-(2,3,4-trichlorophenyl)-1h-pyrazol-5-yl]oxy}propanoateEthyl 2-(4-nitro-2-(2,3,4-trichlorophenyl)pyrazol-3-yl)oxypropanoateSCHEMBL20336295DTXSID60922638

Database identifiers

CAS: 118237-10-8
PubChem CID: 189552
DTXSID: DTXSID60922638
Nikkaji: J246.044K

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 495

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