Basic information
- CAS
27141-70-4- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CC2)c([N+](=O)[O-])c1- InChIKey
AUDXCDCDOYYJNL-UHFFFAOYSA-N- Molecular formula
- C8H6N4O6
- Average molar mass
- 254.16 g/mol
- Monoisotopic mass
- 254.02873392
Names & identifiers
- Preferred name
- 1-(2,4,6-Trinitrophenyl)aziridine
- IUPAC
- 1-(2,4,6-trinitrophenyl)aziridine
Names & synonyms
1-(2,4,6-Trinitrophenyl)aziridineAZIRIDINE, 1-(2,4,6-TRINITROPHENYL)-27141-70-42,4,6-TrinitrophenylethyleneimineSCHEMBL9803806DTXSID40181605
Database identifiers
- CAS
27141-70-4- PubChem CID
- 33714
- DTXSID
DTXSID40181605- Nikkaji
- J62.409H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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