2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-
Basic information
- CAS
36942-29-7- Standard SMILES
O=C1C=CC(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C1- InChIKey
KVTZVEYRRDYXTB-UHFFFAOYSA-N- Molecular formula
- C12H7N3O5
- Average molar mass
- 273.2 g/mol
- Monoisotopic mass
- 273.03857033
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-
- IUPAC
- 4-(2,4-dinitrophenyl)iminocyclohexa-2,5-dien-1-one
Names & synonyms
36942-29-72,5-Cyclohexadien-1-one, 4-[(2,4-dinitrophenyl)imino]-DTXSID60392130N-(2,4-dinitrophenyl)-1,4-benzoquinone imine4-[(2,4-DINITROPHENYL)IMINO]CYCLOHEXA-2,5-DIEN-1-ONE
Database identifiers
- CAS
36942-29-7- PubChem CID
- 3399042
- DTXSID
DTXSID60392130
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 508
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Related reactions
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Compound notes
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