Basic information
- Standard SMILES
CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(COC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]- InChIKey
CHXCTDNEHABPBZ-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2N3O7
- Average molar mass
- 500.3 g/mol
Names & identifiers
- Preferred name
- 3-[(1-Ethylpropyl)amino]-6-methyl-2,4-dinitrobenzyl (2,4-dichlorophenoxy)acetate
- IUPAC
- [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl 2-(2,4-dichlorophenoxy)acetate
Names & synonyms
CHXCTDNEHABPBZ-UHFFFAOYSA-N3-[(1-Ethylpropyl)amino]-6-methyl-2,4-dinitrobenzyl (2,4-dichlorophenoxy)acetate
Database identifiers
- PubChem CID
- 12940764
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 671
Related reactions
3 records
Compound notes
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