Basic information
- Standard SMILES
OC(c1ccc(Cl)cc1)c1cc([B-](F)(F)F)sc1-c1ncn(C2CCCCO2)n1.[K+]- InChIKey
CEQIGMBRLAVQRU-UHFFFAOYSA-N- Molecular formula
- C18H17BClF3KN3O2S
- Average molar mass
- 481.8 g/mol
- Monoisotopic mass
- 481.0412218
Names & identifiers
- Preferred name
- potassium (4-((4-chlorophenyl)(hydroxy)methyl)-5-(1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazol-3-yl)thiophen-2-yl)trifluoroborate
- IUPAC
- potassium [4-[(4-chlorophenyl)-hydroxymethyl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]thiophen-2-yl]-trifluoroboranuide
Names & synonyms
CEQIGMBRLAVQRU-UHFFFAOYSA-Npotassium (4-((4-chlorophenyl)(hydroxy)methyl)-5-(1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazol-3-yl)thiophen-2-yl)trifluoroborate
Database identifiers
- PubChem CID
- 87134396
Properties
Computed structural properties
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
2 records
Compound notes
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