Basic information
- CAS
355824-98-5- Standard SMILES
COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Br)cc3)c3cc(Br)ccc3n2)cc1- InChIKey
DCGUIDQXAVDHOO-UHFFFAOYSA-N- Molecular formula
- C25H17Br2NO4
- Average molar mass
- 555.2 g/mol
- Monoisotopic mass
- 552.95243
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
- English name
- 2-(4-Bromophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylate
- Molecular formula
- C25H17Br2NO4
- Molecular weight
- 555.21
Names & synonyms
Oprea1_328062STK274949AKOS0032602682-(4-bromophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylateST508538282-(4-BROMOPHENYL)-2-OXOETHYL 6-BROMO-2-(4-METHOXYPHENYL)-4-QUINOLINECARBOXYLATE2-(4-bromophenyl)-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylat e4-Quinolinecarboxylic acid, 6-bromo-2-(4-methoxyphenyl)-, 2-(4-bromophenyl)-2-oxoethyl ester
Database identifiers
- CAS
355824-98-5- PubChem CID
- 3755481
- EC Number
- 126-244-9
Properties
Computed structural properties
- XLogP
- 6.5
- 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
- 646
Physicochemical properties
- Boiling point
- 703.748 · 703.748±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.576 · 1.576±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.021 · 2.021±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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