Basic information
- Standard SMILES
COC(=O)C(C)c1ccc(-c2ccccc2[N+](=O)[O-])cc1- InChIKey
PCCOFDUDJQVNKI-UHFFFAOYSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- Methyl 2-(2'-nitro-4-biphenylyl)propionate
- IUPAC
- methyl 2-[4-(2-nitrophenyl)phenyl]propanoate
Names & synonyms
SCHEMBL11672002PCCOFDUDJQVNKI-UHFFFAOYSA-Nmethyl 2-(2'-nitro-4-biphenylyl)propionate
Database identifiers
- PubChem CID
- 21453329
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
3 records
Compound notes
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