Basic information
- CAS
6563-10-6- Standard SMILES
[O-][n+]1cccc2cc(Cl)ccc21- InChIKey
IQHMUMWHRMAAAF-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- 6-Chloro-1-oxo-1lambda~5~-quinoline
- IUPAC
- 6-chloro-1-oxidoquinolin-1-ium
- English name
- Quinoline, 6-chloro-, 1-oxide
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
6563-10-6DTXSID004953166-Chloro-1-oxo-1lambda~5~-quinolineRefChem:307737DTXCID004461266-chloroquinoline 1-oxide6-chloro-1-oxidoquinolin-1-ium6-chloroquinoline N-oxideSCHEMBL1826895IQHMUMWHRMAAAF-UHFFFAOYSA-NQuinoline, 6-chloro-, 1-oxide
Database identifiers
- CAS
6563-10-6- PubChem CID
- 12378925
- DTXSID
DTXSID00495316- Nikkaji
- J3.284.379D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 126.5 °C · 126.5 °C
- Boiling point
- 336 · 336.0±34.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 0.23 · 0.23±0.30(Predicted)
Chemistry & industry
Suppliers4 total
济南凯西生物科技有限公司13370511208; 15853141736 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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