[Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate

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Basic information

CAS: 42901-92-8
Standard SMILES: CCc1oc2cc([N+](=O)[O-])ccc2c1C(OC(C)=O)OC(C)=O
InChIKey: XXROLUNDWQKYPH-UHFFFAOYSA-N
Molecular formula: C15H15NO7
Average molar mass: 321.28 g/mol
Monoisotopic mass: 321.08485182

Names & identifiers

Preferred name: [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate
IUPAC: [acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate

Names & synonyms

42901-92-8NSC170723[acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetateDTXSID30305414NSC-170723(2-Ethyl-6-nitro-1-benzofuran-3-yl)methylene diacetate

Database identifiers

CAS: 42901-92-8
PubChem CID: 298532
DTXSID: DTXSID30305414

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 112 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 459

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Compound notes

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