Basic information
- Standard SMILES
Cc1nn(-c2cc(OS(C)(=O)=O)c(Cl)cc2F)c(C)c1C- InChIKey
BDRJTUPLQSLFMS-UHFFFAOYSA-N- Molecular formula
- C13H14ClFN2O3S
- Average molar mass
- 332.78 g/mol
Names & identifiers
- Preferred name
- 1-(2-Fluoro-4-chloro-5-methylsulfonyloxyphenyl)-3,4,5-trimethylpyrazole
- IUPAC
- [2-chloro-4-fluoro-5-(3,4,5-trimethylpyrazol-1-yl)phenyl] methanesulfonate
Names & synonyms
SCHEMBL9663145BDRJTUPLQSLFMS-UHFFFAOYSA-N1-(2-fluoro-4-chloro-5-methylsulfonyloxyphenyl)- 3,4,5-trimethylpyrazole1-(2-fluoro-4-chloro-5-methylsulfonyloxyphenyl)-3,4,5-trimethylpyrazole
Database identifiers
- PubChem CID
- 13798232
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 473
Related reactions
3 records
Compound notes
Loading…