[2-Methyl-1-oxo-1-(4-phenylphenyl)propan-2-yl] 3,5-dinitrobenzoate
Basic information
- CAS
7472-40-4- Standard SMILES
CC(C)(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(-c2ccccc2)cc1- InChIKey
VJMFVNDKJQUPDN-UHFFFAOYSA-N- Molecular formula
- C23H18N2O7
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.11140092
Names & identifiers
- Preferred name
- [2-Methyl-1-oxo-1-(4-phenylphenyl)propan-2-yl] 3,5-dinitrobenzoate
- IUPAC
- [2-methyl-1-oxo-1-(4-phenylphenyl)propan-2-yl] 3,5-dinitrobenzoate
Names & synonyms
7472-40-4NSC401944[2-methyl-1-oxo-1-(4-phenylphenyl)propan-2-yl] 3,5-dinitrobenzoateDTXSID80322737NSC-4019441-([1,1'-Biphenyl]-4-yl)-2-methyl-1-oxopropan-2-yl 3,5-dinitrobenzoate
Database identifiers
- CAS
7472-40-4- PubChem CID
- 344825
- DTXSID
DTXSID80322737
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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