Basic information
- CAS
667435-74-7- Standard SMILES
CCc1cccc2c(C(=O)O)cc(-c3ccccc3Cl)nc12- InChIKey
JKMJWCSGNKOGDD-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0713064
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-8-ethylquinoline-4-carboxylic acid
- IUPAC
- 2-(2-chlorophenyl)-8-ethylquinoline-4-carboxylic acid
- English name
- 2-(2-chlorophenyl)-8-ethylquinoline-4-carboxylic acid
- Molecular formula
- C18H14ClNO2
- Molecular weight
- 311.76
Names & synonyms
2-(2-chlorophenyl)-8-ethylquinoline-4-carboxylic acid667435-74-7MFCD034220604-quinolinecarboxylic acid, 2-(2-chlorophenyl)-8-ethyl-2-(2-chlorophenyl)-8-ethyl-quinoline-4-carboxylic AcidDTXSID701212184ALBB-011629BBL017142STK441351AKOS003313218SB72225VS-05888
Show more names
CS-0317383ST50845833H265992-(2-chlorophenyl)-8-ethylquinoline-4-carboxylicacid2-(2-Chlorophenyl)-8-ethyl-4-quinolinecarboxylic acid
Database identifiers
- CAS
667435-74-7- PubChem CID
- 3908239
- DTXSID
DTXSID701212184
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 484.4 · 484.4±45.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 0.94 · 0.94±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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