Basic information
- Standard SMILES
COC(=O)c1cc(C(=O)O)n(-c2ccccc2Cl)n1- InChIKey
HUZPVNKBGZKLPO-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O4
- Average molar mass
- 280.66 g/mol
Names & identifiers
- Preferred name
- 1-(2-chlorophenyl)-3-(methoxycarbonyl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-(2-chlorophenyl)-3-methoxycarbonylpyrazole-5-carboxylic acid
Names & synonyms
SCHEMBL15229859HUZPVNKBGZKLPO-UHFFFAOYSA-N1-(2-chlorophenyl)-3-(methoxycarbonyl)-1H-pyrazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 89782840
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
3 records
Compound notes
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