Basic information
- CAS
355825-18-2- Standard SMILES
Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)OCC(=O)c3ccc(Br)cc3)c2C)cc1- InChIKey
LLSHBFUMKJWWHF-UHFFFAOYSA-N- Molecular formula
- C26H19Br2NO3
- Average molar mass
- 553.2 g/mol
- Monoisotopic mass
- 550.97317
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
- English name
- 2-(4-Bromophenyl)-2-oxoethyl 6-Br-3-Me-2-(4-methylphenyl)-4-quinolinecarboxylate
- Molecular formula
- C26H19Br2NO3
- Molecular weight
- 553.24
Names & synonyms
STK274962AKOS0032601272-(4-bromophenyl)-2-oxoethyl 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylateST508538782-(4-BROMOPHENYL)-2-OXOETHYL 6-BR-3-ME-2-(4-METHYLPHENYL)-4-QUINOLINECARBOXYLATE2-(4-bromophenyl)-2-oxoethyl 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-ca rboxylate4-Quinolinecarboxylic acid, 6-bromo-3-methyl-2-(4-methylphenyl)-, 2-(4-bromophenyl)-2-oxoethyl ester
Database identifiers
- CAS
355825-18-2- PubChem CID
- 3696443
- EC Number
- 126-385-6
Properties
Computed structural properties
- XLogP
- 7.2
- 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
- 657
Physicochemical properties
- Boiling point
- 671.284 · 671.284±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.105 · 2.105±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
Loading…