Basic information
- CAS
1237-68-9- Standard SMILES
O=[N+]([O-])c1ccc(NN=CCCc2ccccc2)c([N+](=O)[O-])c1- InChIKey
VYACQSBKFHFBMC-UHFFFAOYSA-N- Molecular formula
- C15H14N4O4
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.10150494
Names & identifiers
- Preferred name
- 2,4-dinitro-N-(3-phenylpropylideneamino)aniline
- IUPAC
- 2,4-dinitro-N-(3-phenylpropylideneamino)aniline
Names & synonyms
DTXSID20924572
Database identifiers
- CAS
1237-68-9- PubChem CID
- 264643
- DTXSID
DTXSID20924572
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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