Basic information
- CAS
57072-87-4- Standard SMILES
CCOC(=O)C(=[N+]=[N-])C(=O)Cl- InChIKey
FSZBIEMCMJRRHG-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O3
- Average molar mass
- 176.56 g/mol
- Monoisotopic mass
- 175.9988697
Names & identifiers
- Preferred name
- 1-Chloro-2-diazonio-3-ethoxy-3-oxoprop-1-en-1-olate
- IUPAC
- ethyl 3-chloro-2-diazo-3-oxopropanoate
Names & synonyms
57072-87-41-Chloro-2-diazonio-3-ethoxy-3-oxoprop-1-en-1-olateDTXSID00853119RefChem:229279DTXCID90803860ethoxy-carbonyldiazoacetyl chloride
Database identifiers
- CAS
57072-87-4- PubChem CID
- 71444331
- DTXSID
DTXSID00853119- Nikkaji
- J593.715I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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