Basic information
- CAS
808122-96-5- Standard SMILES
CC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)c1O- InChIKey
RGQFAAYLXUBSJO-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O2S
- Average molar mass
- 287.2 g/mol
- Monoisotopic mass
- 285.9622061
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-3-hydroxy-4-(methylcarbonyl)thiophene
- IUPAC
- 1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethanone
Names & synonyms
808122-96-52-(3,4-Dichlorophenyl)-3-hydroxy-4-(methylcarbonyl)thiopheneSCHEMBL277337DTXSID80657899RGQFAAYLXUBSJO-UHFFFAOYSA-NDB-1030782-(3,4-dichlorophenyl)-3-hydroxy-4-methylcarbonylthiophene2-(3,4-Dichlorophenyl)-3-hydroxy-4-methylcarbonyl thiophene1-[5-(3,4-Dichlorophenyl)-4-hydroxythiophen-3-yl]ethan-1-one
Database identifiers
- CAS
808122-96-5- PubChem CID
- 44207288
- DTXSID
DTXSID80657899
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
53 records
Compound notes
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