Basic information
- CAS
71173-10-9- Standard SMILES
CCOC(=O)Cn1nc(Cl)ccc1=O- InChIKey
ASEILZLKDGIPDZ-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O3
- Average molar mass
- 216.62 g/mol
- Monoisotopic mass
- 216.0301698
Names & identifiers
- Preferred name
- Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester
- IUPAC
- ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
Names & synonyms
Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester71173-10-9DTXSID40221373RefChem:376383DTXCID40143864ethyl 2-(3-chloro-6-oxopyridazin-1(6H)-yl)acetateSCHEMBL13837741ASEILZLKDGIPDZ-UHFFFAOYSA-NDB-220499Ethyl (3-chloro-6-oxopyridazin-1(6H)-yl)acetateA1-15989
Database identifiers
- CAS
71173-10-9- PubChem CID
- 144466
- DTXSID
DTXSID40221373
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 312
Related reactions
1 records
Compound notes
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