Cas no 153683-97-7 (4-Oxazolecarbonylchloride, 2-(1,1-dimethylethyl)-)
153683-97-7 structure
Product Name:4-Oxazolecarbonylchloride, 2-(1,1-dimethylethyl)-
CAS No:153683-97-7
MF:C8H10ClNO2
MW:187.623501300812
CID:98842
PubChem ID:45081599
Update Time:2025-04-18
4-Oxazolecarbonylchloride, 2-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarbonylchloride, 2-(1,1-dimethylethyl)-
- 2-tert-butyl-1,3-oxazole-4-carbonyl chloride
- 2-tert-butyloxazole-4-carbonyl chloride
- 4-Oxazolecarbonyl chloride, 2-(1,1-dimethylethyl)- (9CI)
- 153683-97-7
- DTXSID30664715
- 2-(tert-Butyl)oxazole-4-carbonyl chloride
-
- Inchi： 1S/C8H10ClNO2/c1-8(2,3)7-10-5(4-12-7)6(9)11/h4H,1-3H3
- InChI Key： VGBRQBGEUHPUMP-UHFFFAOYSA-N
- SMILES： ClC(C1=COC(C(C)(C)C)=N1)=O
Computed Properties
- Exact Mass: 187.0401
- Monoisotopic Mass: 187.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 43.1A^2
- XLogP3: 2.9
Experimental Properties
- PSA: 43.1
4-Oxazolecarbonylchloride, 2-(1,1-dimethylethyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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