Basic information
- Standard SMILES
Cc1ccc(-c2cc(C(=O)O)c(=O)[nH]n2)cc1F- InChIKey
YKFVXDZXMSOUJC-UHFFFAOYSA-N- Molecular formula
- C12H9FN2O3
- Average molar mass
- 248.21 g/mol
- Monoisotopic mass
- 248.05972032
Names & identifiers
- Preferred name
- 4-carboxy-6-(3-fluoro-4-methylphenyl)-2H-pyridazin-3-one
- IUPAC
- 3-(3-fluoro-4-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
Names & synonyms
4-carboxy-6-(3-fluoro-4-methylphenyl)-2H-pyridazin-3-oneSCHEMBL1925276YKFVXDZXMSOUJC-UHFFFAOYSA-N4-carboxy-6-(3-fluoro-4-methylphenyl)-2H-pyridazin-3-on e
Database identifiers
- PubChem CID
- 21991555
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 445
Related reactions
6 records
Compound notes
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