Cas no 4600081-18-9 (Ethyl 2-bromo-5-chlorooxazole-4-carboxylate)
4600081-18-9 structure
Product Name:Ethyl 2-bromo-5-chlorooxazole-4-carboxylate
CAS No:4600081-18-9
MF:C6H5BrClNO3
MW:254.465800046921
CID:2677610
PubChem ID:53338768
Update Time:2025-04-21
Ethyl 2-bromo-5-chlorooxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-bromo-5-chloro-1,3-oxazole-4-carboxylate
- 4600081-18-9
- DTXSID30693484
- Ethyl 2-bromo-5-chlorooxazole-4-carboxylate
- AKOS015951130
- 1240621-15-1
-
- Inchi： 1S/C6H5BrClNO3/c1-2-11-5(10)3-4(8)12-6(7)9-3/h2H2,1H3
- InChI Key： PKQYNYKEEBHRCZ-UHFFFAOYSA-N
- SMILES： BrC1=NC(=C(O1)Cl)C(=O)OCC
Computed Properties
- Exact Mass: 252.914
- Monoisotopic Mass: 252.914
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 2.9
Experimental Properties
- Density: 1.72 g/cm3
- Boiling Point: 306.485oC at 760 mmHg
- Flash Point: 139.157oC
- LogP: 2.26720
Ethyl 2-bromo-5-chlorooxazole-4-carboxylate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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