2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
Basic information
- CAS
6320-79-2- Standard SMILES
O=C(c1ccccc1)C(Br)C(C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1- InChIKey
JTDZREGXXRJPQT-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2O5
- Average molar mass
- 393.19 g/mol
- Monoisotopic mass
- 392.00078
Names & identifiers
- Preferred name
- 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
- IUPAC
- 2-bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
Names & synonyms
6320-79-22-bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-oneNSC32226DTXSID20283590NSC-32226
Database identifiers
- CAS
6320-79-2- PubChem CID
- 233583
- DTXSID
DTXSID20283590
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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