Cas no 1579273-05-4 (4-bromo-6-(1-propyn-1-yl)Pyrimidine)
1579273-05-4 structure
Product Name:4-bromo-6-(1-propyn-1-yl)Pyrimidine
CAS No:1579273-05-4
MF:C7H5BrN2
MW:197.032000303268
CID:2114300
Update Time:2023-11-19
4-bromo-6-(1-propyn-1-yl)Pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-6-(1-propyn-1-yl)Pyrimidine
- CID 129321967
- Pyrimidine, 4-bromo-6-(1-propyn-1-yl)-
-
- Inchi： 1S/C7H5BrN2/c1-2-3-6-4-7(8)10-5-9-6/h4-5H,1H3
- InChI Key： VVWYXTRTIVOVJC-UHFFFAOYSA-N
- SMILES： BrC1=CC(C#CC)=NC=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 167
- Topological Polar Surface Area: 25.8
Experimental Properties
- Density: 1.62±0.1 g/cm3(Predicted)
- Boiling Point: 286.6±25.0 °C(Predicted)
- pka: -2.50±0.26(Predicted)
4-bromo-6-(1-propyn-1-yl)Pyrimidine Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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