2-(2-Chlorophenyl)-6-methylquinoline-4-carboxylic acid
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Basic information
- CAS
522598-05-6- Standard SMILES
Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)O)c2c1- InChIKey
SYVNPWGGRKYTBV-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO2
- Average molar mass
- 297.7 g/mol
- Monoisotopic mass
- 297.0556563
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-6-methylquinoline-4-carboxylic acid
- IUPAC
- 2-(2-chlorophenyl)-6-methylquinoline-4-carboxylic acid
- English name
- 2-(2-CHLOROPHENYL)-6-METHYLQUINOLINE-4-CARBOXYLICACID
- Molecular formula
- C17H12ClNO2
- Molecular weight
- 297.74
Names & synonyms
2-(2-chlorophenyl)-6-methylquinoline-4-carboxylic acid522598-05-6DTXSID80357105RefChem:250613DTXCID50308164MFCD034200072-(2-CHLOROPHENYL)-6-METHYLQUINOLINE-4-CARBOXYLICACID2-(2-chlorophenyl)-6-methyl-quinoline-4-carboxylic AcidALBB-000481BBL017566STK450130AKOS003289139
Show more names
IVK/10261552-(2-chlorophenyl)-6-methyl-cinchoninic acid4-Quinolinecarboxylic acid, 2-(2-chlorophenyl)-6-methyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxylic acid(SALTDATA: FREE)
SB68690VS-06285CS-0317679ST50832520H20876AK-968/41923588F3074472-(2-chlorophenyl)-6-methyl-4-quinolinecarboxylic acid
Database identifiers
- CAS
522598-05-6- PubChem CID
- 843583
- DTXSID
DTXSID80357105
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 476.9 · 476.9±45.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 0.92 · 0.92±0.30(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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