Basic information
- CAS
50993-52-7- Standard SMILES
CCOC(=O)C1=NC=NC1=[N+]=[N-]- InChIKey
HJDOPBGQUOAOCQ-UHFFFAOYSA-N- Molecular formula
- C6H6N4O2
- Average molar mass
- 166.14 g/mol
- Monoisotopic mass
- 166.04907545
Names & identifiers
- Preferred name
- Ethyl 5-diazoimidazole-4-carboxylate
- IUPAC
- ethyl 5-diazoimidazole-4-carboxylate
Names & synonyms
50993-52-7ethyl 5-diazoimidazole-4-carboxylateSCHEMBL10646049DTXSID20965268NSC101342NSC-101342ethyl 4-diazo-4H-imidazole-5-carboxylate(5-diazonio-4H-imidazol-4-ylidene)(ethoxy)methanolate
Database identifiers
- CAS
50993-52-7- PubChem CID
- 3593085
- DTXSID
DTXSID20965268- Nikkaji
- J2.797.946G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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