8-Chloro-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid
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Basic information
- CAS
862647-94-7- Standard SMILES
Cc1ccc(C)c(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1- InChIKey
BVLBESAQAQTUNB-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0713064
Names & identifiers
- Preferred name
- 8-Chloro-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid
- IUPAC
- 8-chloro-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid
- English name
- 8-CHLORO-2-(2,5-DIMETHYLPHENYL)QUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C18H14ClNO2
- Molecular weight
- 311.76
Names & synonyms
8-chloro-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid862647-94-7MFCD03422150DTXSID001194076ALBB-000709BBL037498STK502345AKOS005170950SB72230VS-14211CS-0322272H21073
Show more names
4-Quinolinecarboxylic acid, 8-chloro-2-(2,5-dimethylphenyl)-
8-Chloro-2-(2,5-dimethylphenyl)-4-quinolinecarboxylic acid8-chloro-2-(2,5-dimethylphenyl)quinoline-4-carboxylicacid
Database identifiers
- CAS
862647-94-7- PubChem CID
- 3886953
- DTXSID
DTXSID001194076
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 476.3 · 476.3±45.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 2.11 · 2.11±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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