Basic information
- Standard SMILES
Fc1ccc(Sc2ccc(Cl)cc2Cl)c(Br)c1- InChIKey
LVTDVWYQQANPSB-UHFFFAOYSA-N- Molecular formula
- C12H6BrCl2FS
- Average molar mass
- 352 g/mol
- Monoisotopic mass
- 349.87347
Names & identifiers
- Preferred name
- 1-Bromo-2-(2,4-dichloro-phenylsulfanyl)-5-fluoro-benzene
- IUPAC
- 1-(2-bromo-4-fluorophenyl)sulfanyl-2,4-dichlorobenzene
Names & synonyms
SCHEMBL3550135LVTDVWYQQANPSB-UHFFFAOYSA-N1-Bromo-2-(2,4-dichloro-phenylsulfanyl)-5-fluoro-benzene
Database identifiers
- PubChem CID
- 68686348
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
2 records
Compound notes
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