Pyrrole, 2,4-dinitro-1-isopentyl-
Basic information
- CAS
2948-65-4- Standard SMILES
CC(C)CCn1cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
XKTYRTNZWAPUAG-UHFFFAOYSA-N- Molecular formula
- C9H13N3O4
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.0906059
Names & identifiers
- Preferred name
- Pyrrole, 2,4-dinitro-1-isopentyl-
- IUPAC
- 1-(3-methylbutyl)-2,4-dinitropyrrole
Names & synonyms
Pyrrole, 2,4-dinitro-1-isopentyl-ORF 15172,4-Dinitro-1-isopentylpyrroleBRN 16241892948-65-4DTXSID00183680RefChem:377847DTXCID401061711-(3-methylbutyl)-2,4-dinitro-1H-pyrrole
Database identifiers
- CAS
2948-65-4- PubChem CID
- 200934
- DTXSID
DTXSID00183680
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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