Ethane-1,2-diyl bis(3-nitrobenzoate)
Basic information
- CAS
26383-58-4- Standard SMILES
O=C(OCCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1- InChIKey
UOQBSJPSIXUZDD-UHFFFAOYSA-N- Molecular formula
- C16H12N2O8
- Average molar mass
- 360.27 g/mol
- Monoisotopic mass
- 360.05936535
Names & identifiers
- Preferred name
- Ethane-1,2-diyl bis(3-nitrobenzoate)
- IUPAC
- 2-(3-nitrobenzoyl)oxyethyl 3-nitrobenzoate
Names & synonyms
26383-58-4ethane-1,2-diyl bis(3-nitrobenzoate)NSC110356DTXSID00949228AKOS003444162NSC-110356
Database identifiers
- CAS
26383-58-4- PubChem CID
- 269384
- DTXSID
DTXSID00949228
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
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Related reactions
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Compound notes
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