Basic information
- CAS
63413-57-0- Standard SMILES
Cc1cccc(S(=O)(=O)Oc2c(I)cc(Cl)c3cccnc23)c1C- InChIKey
IAQBERYKRRGECO-UHFFFAOYSA-N- Molecular formula
- C17H13ClINO3S
- Average molar mass
- 473.7 g/mol
- Monoisotopic mass
- 472.93494
Names & identifiers
- Preferred name
- Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl ester
- IUPAC
- (5-chloro-7-iodoquinolin-8-yl) 2,3-dimethylbenzenesulfonate
Names & synonyms
Benzenesulfonic acid, dimethyl-, 5-chloro-7-iodo-8-quinolinyl esterDimethylbenzenesulfonic acid 5-chloro-7-iodo-8-quinolinyl ester63413-57-0DTXSID50212833RefChem:325594DTXCID801353245-Chloro-7-iodoquinolin-8-yl 2,3-dimethylbenzene-1-sulfonate
Database identifiers
- CAS
63413-57-0- PubChem CID
- 3047367
- DTXSID
DTXSID50212833
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…