2-Chloro-7,8-dimethylquinoline-3-carbaldehyde
Basic information
- CAS
323196-70-9- Standard SMILES
Cc1ccc2cc(C=O)c(Cl)nc2c1C- InChIKey
ISBVEHFRQCFGCD-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO
- Average molar mass
- 219.66 g/mol
- Monoisotopic mass
- 219.0450916
Names & identifiers
- Preferred name
- 2-Chloro-7,8-dimethylquinoline-3-carbaldehyde
- IUPAC
- 2-chloro-7,8-dimethylquinoline-3-carbaldehyde
- English name
- 2-Chloro-7,8-dimethyl-3-quinolinecarbaldehyde
- Molecular formula
- C12H10ClNO
- Molecular weight
- 219.67
Names & synonyms
2-chloro-7,8-dimethylquinoline-3-carbaldehyde323196-70-9DTXSID40354993RefChem:259158DTXCID403060532-chloro-7,8-dimethyl-3-quinolinecarbaldehyde2-Chloro-7,8-dimethylquinoline-3-carboxaldehydeMFCD022270433-Quinolinecarboxaldehyde, 2-chloro-7,8-dimethyl-SCHEMBL4069722ISBVEHFRQCFGCD-UHFFFAOYSA-NALBB-024701
Show more names
AKOS BB-7552OTAVA-BB 7020617818
SBB072090AKOS004121186AB11586LS-08156DB-355935CS-0279619ST45027438EN300-703650
Database identifiers
- CAS
323196-70-9- PubChem CID
- 788652
- DTXSID
DTXSID40354993
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 370.8 · 370.8±37.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- -0.77 · -0.77±0.50(Predicted)
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Related reactions
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Compound notes
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