2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazol-3-ylmethoxy]-2-methyl-propionic acid
Basic information
- Standard SMILES
Cc1c(COC(C)(C)C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1- InChIKey
MCQRXAOCCUHBHW-UHFFFAOYSA-N- Molecular formula
- C21H19Cl3N2O3
- Average molar mass
- 453.7 g/mol
Names & identifiers
- Preferred name
- 2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazol-3-ylmethoxy]-2-methyl-propionic acid
- IUPAC
- 2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]-2-methylpropanoic acid
Names & synonyms
SCHEMBL15393003MCQRXAOCCUHBHW-UHFFFAOYSA-N2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazol-3-ylmethoxy]-2-methyl-propionic acid
Database identifiers
- PubChem CID
- 89907918
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 571
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Related reactions
3 records
Compound notes
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