Basic information
- CAS
823213-45-2- Standard SMILES
Cc1ccc(S(=O)C(Cl)=Cc2ccccc2)cc1- InChIKey
IABIEGMYUFLKRU-UHFFFAOYSA-N- Molecular formula
- C15H13ClOS
- Average molar mass
- 276.8 g/mol
- Monoisotopic mass
- 276.0375639
Names & identifiers
- Preferred name
- 1-(1-Chloro-2-phenylethenesulfinyl)-4-methylbenzene
- IUPAC
- 1-(1-chloro-2-phenylethenyl)sulfinyl-4-methylbenzene
Names & synonyms
823213-45-2DTXSID108385981-(1-Chloro-2-phenylethenesulfinyl)-4-methylbenzeneRefChem:222435DTXCID207893401-(1-Chloro-2-phenylethene-1-sulfinyl)-4-methylbenzene
Database identifiers
- CAS
823213-45-2- PubChem CID
- 71419331
- DTXSID
DTXSID10838598
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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