8-Quinolinesulfonic acid, 3,4-dichlorophenyl ester
Basic information
- CAS
158729-19-2- Standard SMILES
O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1cccc2cccnc12- InChIKey
HOYQRSSSYSSMPZ-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2NO3S
- Average molar mass
- 354.2 g/mol
- Monoisotopic mass
- 352.9680197
Names & identifiers
- Preferred name
- 8-Quinolinesulfonic acid, 3,4-dichlorophenyl ester
- IUPAC
- (3,4-dichlorophenyl) quinoline-8-sulfonate
Names & synonyms
8-Quinolinesulfonic acid, 3,4-dichlorophenyl ester158729-19-2CCRIS 69413,4-DICHLOROPHENYL QUINOLINE-8-SULFONATEDTXSID50935974AKOS008269623
Database identifiers
- CAS
158729-19-2- PubChem CID
- 154704
- DTXSID
DTXSID50935974- Nikkaji
- J602.260J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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