Basic information
- Standard SMILES
CCOC(=O)C=CC(=O)Nc1n[nH]c2cc(Cl)ccc12- InChIKey
SDRUEXONAYGMDS-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O3
- Average molar mass
- 293.7 g/mol
Names & identifiers
- Preferred name
- ethyl 4-[(6-chloro-1H-indazol-3-yl)amino]-4-oxobut-2-enoate
- IUPAC
- ethyl 4-[(6-chloro-1H-indazol-3-yl)amino]-4-oxobut-2-enoate
Names & synonyms
SCHEMBL6478329
Database identifiers
- PubChem CID
- 69794473
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
2 records
Compound notes
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