Basic information
- Standard SMILES
COC(=O)C(C(=O)OC)C(Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccc(OC)cc1- InChIKey
ZHDHJOUQYNFZKH-UHFFFAOYSA-N- Molecular formula
- C21H20F3NO7
- Average molar mass
- 455.4 g/mol
Names & identifiers
- Preferred name
- [2-(2-Nitro-5-trifluoromethylphenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid, dimethyl ester
- IUPAC
- dimethyl 2-[1-(4-methoxyphenyl)-2-[2-nitro-5-(trifluoromethyl)phenyl]ethyl]propanedioate
Names & synonyms
[2-(2-Nitro-5-trifluoromethylphenyl)-1-(4-methoxyphenyl)ethyl]propanedioic acid, dimethyl ester
Database identifiers
- PubChem CID
- 14156190
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 643
Related reactions
3 records
Compound notes
Loading…