Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1- InChIKey
BOAWUTDYLBUFQZ-UHFFFAOYSA-N- Molecular formula
- C16H13NO6
- Average molar mass
- 315.28 g/mol
Names & identifiers
- Preferred name
- 3'-Nitro-[1,1'-biphenyl]-2,4-dicarboxylic acid dimethyl ester
- IUPAC
- dimethyl 4-(3-nitrophenyl)benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL6434542BOAWUTDYLBUFQZ-UHFFFAOYSA-N3'-Nitro-[1,1'-biphenyl]-2,4-dicarboxylic acid dimethyl ester
Database identifiers
- PubChem CID
- 11529752
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
1 records
Compound notes
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