Cas no 80887-20-3 (3,5-Isoxazoledicarbonyldichloride)
80887-20-3 structure
Product Name:3,5-Isoxazoledicarbonyldichloride
CAS No:80887-20-3
MF:C5HCl2NO3
MW:193.972339391708
CID:707869
PubChem ID:12886504
Update Time:2025-04-19
3,5-Isoxazoledicarbonyldichloride Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Isoxazoledicarbonyldichloride
- 1,2-oxazole-3,5-dicarbonyl chloride
- 3,5-Isoxazoledicarbonyldichloride(9CI)
- 80887-20-3
- 1,2-Oxazole-3,5-dicarbonyl dichloride
- DTXSID70512327
-
- Inchi： 1S/C5HCl2NO3/c6-4(9)2-1-3(5(7)10)11-8-2/h1H
- InChI Key： BTAZTUZCVOPGQQ-UHFFFAOYSA-N
- SMILES： ClC(C1=CC(C(=O)Cl)=NO1)=O
Computed Properties
- Exact Mass: 192.9333483g/mol
- Monoisotopic Mass: 192.9333483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 196
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.1
- Topological Polar Surface Area: 60.2?2
3,5-Isoxazoledicarbonyldichloride Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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