8-Chloro-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
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Basic information
- CAS
862782-46-5- Standard SMILES
COc1ccc(-c2cc(C(=O)O)c3cccc(Cl)c3n2)cc1OC- InChIKey
HMCBEZZOEOXKJK-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO4
- Average molar mass
- 343.8 g/mol
Names & identifiers
- Preferred name
- 8-Chloro-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
- IUPAC
- 8-chloro-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
- English name
- 8-Chloro-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
- Molecular formula
- C18H14ClNO4
- Molecular weight
- 343.76
Names & synonyms
8-chloro-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid862782-46-5MFCD03422153ALBB-000713BBL037499STK502346AKOS005170903SB72291VS-14212CS-0322254H210778-chloro-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylicacid
Show more names
4-Quinolinecarboxylic acid, 8-chloro-2-(3,4-dimethoxyphenyl)-
Database identifiers
- CAS
862782-46-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 520.6 · 520.6±50.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- 2.1 · 2.10±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- 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
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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