Basic information
- CAS
15088-66-1- Standard SMILES
CCOC(=O)CNC(=O)C(=[N+]=[N-])C(=O)COc1ccc(Cl)cc1Cl- InChIKey
FEVDLNOVJFRKEV-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2N3O5
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.0232259
Names & identifiers
- Preferred name
- (2Z)-3-Diazonio-1-(2,4-dichlorophenoxy)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-en-2-olate
- IUPAC
- ethyl 2-[[2-diazo-4-(2,4-dichlorophenoxy)-3-oxobutanoyl]amino]acetate
Names & synonyms
15088-66-1DTXSID10716226NSC95392NSC-95392(2Z)-3-Diazonio-1-(2,4-dichlorophenoxy)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-en-2-olate
Database identifiers
- CAS
15088-66-1- PubChem CID
- 5213634
- DTXSID
DTXSID10716226
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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