4,7-Dichloro-1-benzothiophene-3-ol
Basic information
- CAS
60131-94-4- Standard SMILES
Oc1csc2c(Cl)ccc(Cl)c12- InChIKey
GGBKVZJKCHBIST-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2OS
- Average molar mass
- 219.09 g/mol
- Monoisotopic mass
- 217.9359913
Names & identifiers
- Preferred name
- 4,7-Dichloro-1-benzothiophene-3-ol
- IUPAC
- 4,7-dichloro-1-benzothiophen-3-ol
Names & synonyms
60131-94-4SCHEMBL9616005DTXSID206033154,7-Dichloro-1-benzothiophene-3-ol
Database identifiers
- CAS
60131-94-4- PubChem CID
- 20188014
- DTXSID
DTXSID20603315
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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