1-(4-Methylphenyl)-2-(2-nitrophenyl)ethan-1-one
Basic information
- CAS
58751-65-8- Standard SMILES
Cc1ccc(C(=O)Cc2ccccc2[N+](=O)[O-])cc1- InChIKey
RDHDEJRULGJOFE-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)-2-(2-nitrophenyl)ethan-1-one
- IUPAC
- 1-(4-methylphenyl)-2-(2-nitrophenyl)ethanone
Names & synonyms
1-(4-methylphenyl)-2-(2-nitrophenyl)ethan-1-oneSCHEMBL9582743DTXSID40125880658751-65-81-(4-methylphenyl)-2-(2-nitrophenyl)ethanone
Database identifiers
- CAS
58751-65-8- PubChem CID
- 12909586
- DTXSID
DTXSID401258806- Nikkaji
- J3.210.137B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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