Cas no 6797-50-8 (Benzoxazole,2-(2-methylpropyl)-)
6797-50-8 structure
Product Name:Benzoxazole,2-(2-methylpropyl)-
Benzoxazole,2-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole,2-(2-methylpropyl)-
- 2-(2-methylpropyl)-1,3-benzoxazole
- 2-isobutylbenzoxazole
- SCHEMBL5535419
- 2-Isobutylbenzo[d]oxazole
- NS00036328
- DTXSID00218163
- 6797-50-8
- EINECS 229-870-1
-
- Inchi： 1S/C11H13NO/c1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h3-6,8H,7H2,1-2H3
- InChI Key： ZORIKMFUXMCILS-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2N=C1CC(C)C
Computed Properties
- Exact Mass: 175.099714038g/mol
- Monoisotopic Mass: 175.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 170
- 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
- XLogP3: 3.4
- Topological Polar Surface Area: 26?2
Benzoxazole,2-(2-methylpropyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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