4-(2-Chlorophenyl)-1-[(trichloromethyl)sulfanyl]-1H-pyrrole-3-carbonitrile
Basic information
- CAS
87389-04-6- Standard SMILES
N#Cc1cn(SC(Cl)(Cl)Cl)cc1-c1ccccc1Cl- InChIKey
CCHWQILIXYVCKI-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4N2S
- Average molar mass
- 352.1 g/mol
- Monoisotopic mass
- 349.90058
Names & identifiers
- Preferred name
- 4-(2-Chlorophenyl)-1-[(trichloromethyl)sulfanyl]-1H-pyrrole-3-carbonitrile
- IUPAC
- 4-(2-chlorophenyl)-1-(trichloromethylsulfanyl)pyrrole-3-carbonitrile
Names & synonyms
87389-04-6DTXSID408325044-(2-Chlorophenyl)-1-[(trichloromethyl)sulfanyl]-1H-pyrrole-3-carbonitrile
Database identifiers
- CAS
87389-04-6- PubChem CID
- 71412972
- DTXSID
DTXSID40832504
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…