1-({[4-Nitro-3-(trifluoromethyl)phenyl]amino}oxy)ethanone

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Basic information

CAS: 6310-12-9
Standard SMILES: CC(=O)ONc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIKey: BMPZRISEMMEZHL-UHFFFAOYSA-N
Molecular formula: C9H7F3N2O4
Average molar mass: 264.16 g/mol
Monoisotopic mass: 264.0357912

Names & identifiers

Preferred name: 1-({[4-Nitro-3-(trifluoromethyl)phenyl]amino}oxy)ethanone
IUPAC: [4-nitro-3-(trifluoromethyl)anilino] acetate
English name: [[4-nitro-3-(trifluoromethyl)phenyl]amino] acetate
Molecular formula: C9H7F3N2O4
Molecular weight: 0

Names & synonyms

6310-12-91-({[4-nitro-3-(trifluoromethyl)phenyl]amino}oxy)ethanoneNSC43027DTXSID80285858NSC-430271-{[4-Nitro-3-(trifluoromethyl)anilino]oxy}ethan-1-one[[4-nitro-3-(trifluoromethyl)phenyl]amino] acetate

Database identifiers

CAS: 6310-12-9
PubChem CID: 238583
DTXSID: DTXSID80285858

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 329

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Compound notes

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