Basic information
- Standard SMILES
COC(=O)CCC(C(CC(=O)OC)c1ccc(Cl)cc1)[N+](=O)[O-]- InChIKey
LQEKYHARTVGZPB-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO6
- Average molar mass
- 343.76 g/mol
Names & identifiers
- Preferred name
- 4-Nitro-3-(4-chlorophenyl)heptanedioic acid dimethyl ester
- IUPAC
- dimethyl 3-(4-chlorophenyl)-4-nitroheptanedioate
Names & synonyms
SCHEMBL10641902LQEKYHARTVGZPB-UHFFFAOYSA-N4-nitro-3-(4-chlorophenyl)heptanedioic acid dimethyl ester
Database identifiers
- PubChem CID
- 54046868
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Related reactions
3 records
Compound notes
Loading…