Pyrrole, 2,4-dinitro-1-methyl-
Basic information
- CAS
2948-69-8- Standard SMILES
Cn1cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
MLTNFLAALLYRSY-UHFFFAOYSA-N- Molecular formula
- C5H5N3O4
- Average molar mass
- 171.11 g/mol
- Monoisotopic mass
- 171.02800565
Names & identifiers
- Preferred name
- Pyrrole, 2,4-dinitro-1-methyl-
- IUPAC
- 1-methyl-2,4-dinitropyrrole
Names & synonyms
Pyrrole, 2,4-dinitro-1-methyl-2948-69-81-methyl-2,4-dinitro-1H-PyrroleORF 13502,4-Dinitro-1-methylpyrroleBRN 01747331-methyl-2,4-dinitropyrroleN-methyl-2,4-dinitropyrroleDTXSID80183683G81417
Database identifiers
- CAS
2948-69-8- PubChem CID
- 200936
- DTXSID
DTXSID80183683
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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