Basic information
- Standard SMILES
COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NCc1c(Cl)cccc1Cl- InChIKey
ZPBJJYCGJBAZRQ-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2O4
- Average molar mass
- 383.2 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[(2,6-dichlorobenzyl)amino]-3-(4-nitrophenyl)propanoate
- IUPAC
- methyl 2-[(2,6-dichlorophenyl)methylamino]-3-(4-nitrophenyl)propanoate
Names & synonyms
623146-90-7methyl 2-[(2,6-dichlorobenzyl)amino]-3-(4-nitrophenyl)propanoateSCHEMBL3316295ZPBJJYCGJBAZRQ-UHFFFAOYSA-NDA-41908
Database identifiers
- PubChem CID
- 11269078
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
Related reactions
3 records
Compound notes
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