Basic information
- CAS
76120-02-0- Standard SMILES
CC.CCNC(=O)C(C)Oc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
BGGJQGHOEAEFSA-UHFFFAOYSA-N- Molecular formula
- C19H22Cl2N2O5
- Average molar mass
- 429.3 g/mol
- Monoisotopic mass
- 428.0905772
Names & identifiers
- Preferred name
- 2-[5-(2,4-Dichlorophenoxy)-2-nitrophenoxy]-N-ethylpropanimidic acid--ethane (1/1)
- IUPAC
- 2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-N-ethylpropanamide;ethane
Names & synonyms
2-[5-(2,4-Dichlorophenoxy)-2-nitrophenoxy]-N-ethylpropanimidic acid--ethane (1/1)DTXSID10997477
Database identifiers
- CAS
76120-02-0- PubChem CID
- 44149751
- DTXSID
DTXSID10997477
Properties
Computed structural properties
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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