Methyl 2-(2-nitro-3,3-diphenylpropanoyl)benzoate
Basic information
- CAS
882760-25-0- Standard SMILES
COC(=O)c1ccccc1C(=O)C(C(c1ccccc1)c1ccccc1)[N+](=O)[O-]- InChIKey
LYAMKHPZLQUGHE-UHFFFAOYSA-N- Molecular formula
- C23H19NO5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.12632271
Names & identifiers
- Preferred name
- Methyl 2-(2-nitro-3,3-diphenylpropanoyl)benzoate
- IUPAC
- methyl 2-(2-nitro-3,3-diphenylpropanoyl)benzoate
Names & synonyms
methyl 2-(2-nitro-3,3-diphenylpropanoyl)benzoateMethyl 2-(2-nitro-1-oxo-3,3-diphenylpropyl)benzoateDTXSID101222044882760-25-0
Database identifiers
- CAS
882760-25-0- PubChem CID
- 4678971
- DTXSID
DTXSID101222044
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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