Pyrrole, 2,4-dinitro-1-hexyl-
Basic information
- CAS
2948-64-3- Standard SMILES
CCCCCCn1cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CQUAHNDPRCQRNM-UHFFFAOYSA-N- Molecular formula
- C10H15N3O4
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.10625597
Names & identifiers
- Preferred name
- Pyrrole, 2,4-dinitro-1-hexyl-
- IUPAC
- 1-hexyl-2,4-dinitropyrrole
Names & synonyms
Pyrrole, 2,4-dinitro-1-hexyl-ORF 15162,4-Dinitro-1-hexylpyrroleBRN 16248272948-64-3DTXSID90183679RefChem:377845DTXCID801061701-Hexyl-2,4-dinitro-1H-pyrrole
Database identifiers
- CAS
2948-64-3- PubChem CID
- 200933
- DTXSID
DTXSID90183679
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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