Cas no 1228552-88-2 (2-bromo-1-(7-bromoquinolin-3-yl)ethanone)
1228552-88-2 structure
Product Name:2-bromo-1-(7-bromoquinolin-3-yl)ethanone
CAS No:1228552-88-2
MF:C11H7Br2NO
MW:328.987381219864
CID:2118049
Update Time:2023-11-19
2-bromo-1-(7-bromoquinolin-3-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-(7-bromo-3-quinolinyl)Ethanone
- 2-bromo-1-(7-bromoquinolin-3-yl)ethanone
- Ethanone, 2-bromo-1-(7-bromo-3-quinolinyl)-
- CID 88170621
-
- Inchi： 1S/C11H7Br2NO/c12-5-11(15)8-3-7-1-2-9(13)4-10(7)14-6-8/h1-4,6H,5H2
- InChI Key： IVLSVVSRBDNXTK-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=CC(C(CBr)=O)=CN=C2C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- Topological Polar Surface Area: 30
Experimental Properties
- Density: 1.851±0.06 g/cm3(Predicted)
- Boiling Point: 401.9±30.0 °C(Predicted)
- pka: 1.15±0.25(Predicted)
2-bromo-1-(7-bromoquinolin-3-yl)ethanone Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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