Basic information
- CAS
24914-60-1- Standard SMILES
CCONc1c([N+](=O)[O-])cccc1[N+](=O)[O-]- InChIKey
JKLPHGNDYPWGKN-UHFFFAOYSA-N- Molecular formula
- C8H9N3O5
- Average molar mass
- 227.17 g/mol
- Monoisotopic mass
- 227.0542204
Names & identifiers
- Preferred name
- Benzenamine, N-ethoxy-2,6-dinitro-
- IUPAC
- N-ethoxy-2,6-dinitroaniline
Names & synonyms
N-Ethoxy-2,6-dinitroanilineBenzenamine, N-ethoxy-2,6-dinitro-DTXSID1073446RefChem:323007DTXCID303717324914-60-1
Database identifiers
- CAS
24914-60-1- PubChem CID
- 90652
- DTXSID
DTXSID1073446- Nikkaji
- J673.212G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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