Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate
Basic information
- CAS
57998-76-2- Standard SMILES
CCOC=NC1=C(Cl)C(=O)C(N=COCC)=C(Cl)C1=O- InChIKey
DSASAAGHRLSPQK-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2N2O4
- Average molar mass
- 319.14 g/mol
- Monoisotopic mass
- 318.0174123
Names & identifiers
- Preferred name
- Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidate
- IUPAC
- ethyl N-[2,5-dichloro-4-(ethoxymethylideneamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]methanimidate
Names & synonyms
57998-76-2NSC191296DTXSID70307452Diethyl (2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bismethanimidateNSC-191296
Database identifiers
- CAS
57998-76-2- PubChem CID
- 303192
- DTXSID
DTXSID70307452
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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