1-(4-Chlorophenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
Basic information
- CAS
52834-28-3- Standard SMILES
O=C(O)C1CCc2c(cnn2-c2ccc(Cl)cc2)C1- InChIKey
TYJFYFNAPGPFMY-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O2
- Average molar mass
- 276.72 g/mol
- Monoisotopic mass
- 276.0665554
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
- IUPAC
- 1-(4-chlorophenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
Names & synonyms
1-(4-chlorophenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid52834-28-3NSC201318CHEMBL3230545DTXSID50308003NSC-201318DS-0080571-(4-Chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
Database identifiers
- CAS
52834-28-3- PubChem CID
- 304692
- DTXSID
DTXSID50308003- ChEMBL
CHEMBL3230545
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
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