Basic information
- CAS
61785-75-9- Standard SMILES
O=CN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1- InChIKey
CMNLHTDBEGECCX-UHFFFAOYSA-N- Molecular formula
- C11H11N5O4
- Average molar mass
- 277.24 g/mol
- Monoisotopic mass
- 277.08110385
Names & identifiers
- Preferred name
- 4-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehyde
- IUPAC
- 4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazine-1-carbaldehyde
Names & synonyms
61785-75-9NSC228143DTXSID503105604-(7-Nitro-2,1,3-benzoxadiazol-4-yl)piperazine-1-carbaldehydeNSC-228143
Database identifiers
- CAS
61785-75-9- PubChem CID
- 313609
- DTXSID
DTXSID50310560
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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