Basic information
- CAS
3484-17-1- Standard SMILES
CCc1c([N+](=O)[O-])c2cc([N+](=O)[O-])ccc2n1C- InChIKey
GIBAWVVBJMJZNQ-UHFFFAOYSA-N- Molecular formula
- C11H11N3O4
- Average molar mass
- 249.22 g/mol
- Monoisotopic mass
- 249.07495584
Names & identifiers
- Preferred name
- 2-Ethyl-1-methyl-3,5-dinitro-1h-indole
- IUPAC
- 2-ethyl-1-methyl-3,5-dinitroindole
Names & synonyms
2-ethyl-1-methyl-3,5-dinitro-1h-indole3484-17-1NSC131899DTXSID00299659NSC-131899
Database identifiers
- CAS
3484-17-1- PubChem CID
- 280314
- DTXSID
DTXSID00299659
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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