1-(3-Chloro-1-benzothiophen-2-yl)ethanone
Basic information
- CAS
323176-90-5- Standard SMILES
CC(=O)c1sc2ccccc2c1Cl- InChIKey
NFQCRYXMBBJDBR-UHFFFAOYSA-N- Molecular formula
- C10H7ClOS
- Average molar mass
- 210.68 g/mol
Names & identifiers
- Preferred name
- 1-(3-Chloro-1-benzothiophen-2-yl)ethanone
- IUPAC
- 1-(3-chloro-1-benzothiophen-2-yl)ethanone
- English name
- 1-(3-chloro-1-benzothien-2-yl)ethanone
- Molecular formula
- C10H7ClOS
- Molecular weight
- 210.67998
Names & synonyms
323176-90-51-(3-Chlorobenzo[b]thiophen-2-yl)ethanone1-(3-chloro-1-benzothien-2-yl)ethanone1-(3-chloro-1-benzothiophen-2-yl)ethanoneSCHEMBL2610241SCHEMBL5418076AA-516/33241050
Database identifiers
- CAS
323176-90-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- form
- solid
- InChIKey
- NFQCRYXMBBJDBR-UHFFFAOYSA-N
- SMILES
- [s]1c2c(c(c1C(=O)C)Cl)cccc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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