Basic information
- Standard SMILES
O=S(c1[nH]c(-c2ccc(Cl)cc2)c(S(=O)(=O)C(F)(F)F)c1Br)C(F)(F)F- InChIKey
NEADXPXVNCYYQK-UHFFFAOYSA-N- Molecular formula
- C12H5BrClF6NO3S2
- Average molar mass
- 504.7 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-5-(p-chlorophenyl)-2-[(trifluoromethyl)sulfinyl]-4-[(trifluoromethyl)sulfonyl]pyrrole
- IUPAC
- 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethylsulfinyl)-3-(trifluoromethylsulfonyl)-1H-pyrrole
Names & synonyms
3-Bromo-5-(p-chlorophenyl)-2-[(trifluoromethyl)sulfinyl]-4-[(trifluoromethyl)sulfonyl]pyrrole3-Bromo-5-(p-chlorophenyl)-2-[(trifluoromethyl)sulfinyl]-4-[(trifluoromethyl]sulfonyl]pyrroleSCHEMBL8665123
Database identifiers
- PubChem CID
- 18930441
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 645
Related reactions
3 records
Compound notes
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