Basic information
- CAS
355824-54-3- Standard SMILES
Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(Br)cc23)cc1- InChIKey
QJMKSJGAWYIPQH-UHFFFAOYSA-N- Molecular formula
- C27H22BrNO3
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 487.07831
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)-2-oxoethyl 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate
- IUPAC
- [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate
- English name
- 2-(4-Methylphenyl)-2-oxoethyl 6-Br-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate
- Molecular formula
- C27H22BrNO3
- Molecular weight
- 488.37
Names & synonyms
Oprea1_139693STK269768AKOS0032603682-(4-methylphenyl)-2-oxoethyl 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylateST508538242-(4-methylphenyl)-2-oxoethyl 2-(3,4-dimethylphenyl)-6-bromoquinoline-4-carbox ylate2-(4-METHYLPHENYL)-2-OXOETHYL 6-BR-2-(3,4-DIMETHYLPHENYL)-4-QUINOLINECARBOXYLATE4-Quinolinecarboxylic acid, 6-bromo-2-(3,4-dimethylphenyl)-, 2-(4-methylphenyl)-2-oxoethyl ester
Database identifiers
- CAS
355824-54-3- PubChem CID
- 3695510
- EC Number
- 126-220-8
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 661
Physicochemical properties
- Boiling point
- 658.187 · 658.187±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.873 · 1.873±0.30(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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