Basic information
- Standard SMILES
CCOC(=O)C=Cc1cc2cnn(-c3ccc(F)cc3)c2cc1C- InChIKey
KQHSLVCXHMUNMB-UHFFFAOYSA-N- Molecular formula
- C19H17FN2O2
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.12740595
Names & identifiers
- Preferred name
- Ethyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]prop-2-enoate
- IUPAC
- ethyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]prop-2-enoate
Database identifiers
- PubChem CID
- 91123733
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
1 records
Compound notes
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