Basic information
- CAS
40645-23-6- Standard SMILES
O=C(COc1ccc(Cl)cc1)C1CSc2ccc(Br)cc21- InChIKey
DXTLQJCSXHZWHL-UHFFFAOYSA-N- Molecular formula
- C16H12BrClO2S
- Average molar mass
- 383.7 g/mol
- Monoisotopic mass
- 381.94299
Names & identifiers
- Preferred name
- 1-(5-Bromo-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-chlorophenoxy)ethanone
- IUPAC
- 1-(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-chlorophenoxy)ethanone
Names & synonyms
NSC15336240645-23-6DTXSID30302761NSC-1533621-(5-Bromo-2,3-dihydro-1-benzothiophen-3-yl)-2-(4-chlorophenoxy)ethan-1-one
Database identifiers
- CAS
40645-23-6- PubChem CID
- 290264
- DTXSID
DTXSID30302761
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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