Bis(2,4,6-trinitrophenyl)methanone
Basic information
- CAS
32255-36-0- Standard SMILES
O=C(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
NCQKIVJBUPRGNE-UHFFFAOYSA-N- Molecular formula
- C13H4N6O13
- Average molar mass
- 452.2 g/mol
- Monoisotopic mass
- 451.9836342
Names & identifiers
- Preferred name
- Bis(2,4,6-trinitrophenyl)methanone
- IUPAC
- bis(2,4,6-trinitrophenyl)methanone
Names & synonyms
32255-36-0bis(2,4,6-trinitrophenyl)methanoneNSC312459SCHEMBL11776637DTXSID10317191NSC-312459
Database identifiers
- CAS
32255-36-0- PubChem CID
- 329468
- DTXSID
DTXSID10317191
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 292 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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