Basic information
- CAS
2948-68-7- Standard SMILES
CCn1cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
VIQVAYRFWKGJEJ-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.04365571
Names & identifiers
- Preferred name
- 1-Ethyl-2,4-dinitropyrrole
- IUPAC
- 1-ethyl-2,4-dinitropyrrole
Names & synonyms
Pyrrole, 2,4-dinitro-1-ethyl-1-ethyl-2,4-dinitro-1h-pyrrole1-ethyl-2,4-dinitropyrrole2,4-Dinitro-1-ethylpyrroleORF 14522948-68-7P7OJ63CW5PNSC 50368BRN 1576432NSC-50368UNII-P7OJ63CW5PDTXSID20183682
Show more names
1H-Pyrrole, 1-ethyl-2,4-dinitro-RefChem:197034DTXCID60106173NP 8NSC50368
Database identifiers
- CAS
2948-68-7- PubChem CID
- 96067
- DTXSID
DTXSID20183682- UNII
- P7OJ63CW5P
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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