Basic information
- CAS
355825-00-2- Standard SMILES
COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc3n2)cc1- InChIKey
BHVQQDPIADTGOV-UHFFFAOYSA-N- Molecular formula
- C25H17BrClNO4
- Average molar mass
- 510.8 g/mol
- Monoisotopic mass
- 509.00295
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
- IUPAC
- [2-(4-chlorophenyl)-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
- English name
- 2-(4-chlorophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
- Molecular formula
- C25H17BrClNO4
- Molecular weight
- 510.76
Names & synonyms
2-(4-chlorophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylateOprea1_344785STK274950AKOS003260269ST508547932-(4-CHLOROPHENYL)-2-OXOETHYL 6-BROMO-2-(4-METHOXYPHENYL)-4-QUINOLINECARBOXYLATE2-(4-chlorophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxyla te4-Quinolinecarboxylic acid, 6-bromo-2-(4-methoxyphenyl)-, 2-(4-chlorophenyl)-2-oxoethyl ester
Database identifiers
- CAS
355825-00-2- PubChem CID
- 1865520
- EC Number
- 126-218-7
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 690.9 · 690.9±55.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- pka
- 1.59 · 1.59±0.33(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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