Basic information
- CAS
2881-70-1- Standard SMILES
CCCCn1cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
OJFAVJXGMKHJKM-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.07495584
Names & identifiers
- Preferred name
- 1H-Pyrrole, 1-butyl-2,4-dinitro-
- IUPAC
- 1-butyl-2,4-dinitropyrrole
Names & synonyms
1-Butyl-2,4-dinitropyrrole1-Butyl-2,4-dinitro-1H-pyrroleORF 14601H-Pyrrole, 1-butyl-2,4-dinitro-BRN 1623869Pyrrole, 1-butyl-2,4-dinitro-2881-70-1DTXSID80183002RefChem:240317DTXCID501054931H-Pyrrole, 1-butyl-2,4-dinitro-(9CI)1H-Pyrrole, 1-butyl-2,4-dinitro- (9CI)
Database identifiers
- CAS
2881-70-1- PubChem CID
- 200868
- DTXSID
DTXSID80183002
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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