Basic information
- CAS
40645-25-8- Standard SMILES
O=C(COc1ccc(Cl)cc1)C1CSc2c(Cl)ccc(Cl)c21- InChIKey
AOLFLLXGSOIRPX-UHFFFAOYSA-N- Molecular formula
- C16H11Cl3O2S
- Average molar mass
- 373.7 g/mol
- Monoisotopic mass
- 371.954534
Names & identifiers
- Preferred name
- 2-(4-Chlorophenoxy)-1-(4,7-dichloro-2,3-dihydro-1-benzothiophen-3-yl)ethanone
- IUPAC
- 2-(4-chlorophenoxy)-1-(4,7-dichloro-2,3-dihydro-1-benzothiophen-3-yl)ethanone
Names & synonyms
40645-25-8NSC154021DTXSID00302819NSC-1540212-(4-Chlorophenoxy)-1-(4,7-dichloro-2,3-dihydro-1-benzothiophen-3-yl)ethan-1-one
Database identifiers
- CAS
40645-25-8- PubChem CID
- 290487
- DTXSID
DTXSID00302819
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…