2-Ethoxyethyl 3,5-dinitrobenzoate
Basic information
- CAS
6943-77-7- Standard SMILES
CCOCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
SCXGAVJIYIXEAJ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O7
- Average molar mass
- 284.22 g/mol
- Monoisotopic mass
- 284.06445073
Names & identifiers
- Preferred name
- 2-Ethoxyethyl 3,5-dinitrobenzoate
- IUPAC
- 2-ethoxyethyl 3,5-dinitrobenzoate
Names & synonyms
2-ethoxyethyl 3,5-dinitrobenzoate6943-77-7DTXSID40288224RefChem:260391DTXCID80239371SCXGAVJIYIXEAJ-UHFFFAOYSA-NNSC54787Ethanol, 2-ethoxy-,1-(3,5-dinitrobenzoate)NSC-54787DS-010849
Database identifiers
- CAS
6943-77-7- PubChem CID
- 244161
- DTXSID
DTXSID40288224
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
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Related reactions
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Compound notes
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