Methyl 5-chloroquinoline-8-carboxylate
Basic information
- CAS
16220-22-7- Standard SMILES
COC(=O)c1ccc(Cl)c2cccnc12- InChIKey
UOABXDXNLKXCKC-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.0243562
Names & identifiers
- Preferred name
- Methyl 5-chloroquinoline-8-carboxylate
- IUPAC
- methyl 5-chloroquinoline-8-carboxylate
- English name
- Methyl 5-chloroquinoline-8-carboxylate
- Molecular formula
- C11H8ClNO2
- Molecular weight
- 221.64
Names & synonyms
Methyl 5-chloroquinoline-8-carboxylate16220-22-7DTXSID70858656RefChem:356055DTXCID40809397Methyl5-chloroquinoline-8-carboxylateSB69734Methyl 5-chloro-8-quinolinecarboxylate8-Quinolinecarboxylic acid, 5-chloro-, methyl ester
Database identifiers
- CAS
16220-22-7- PubChem CID
- 72183166
- DTXSID
DTXSID70858656
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 342.8 · 342.8±22.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.09 · 2.09±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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