Cas no 156575-59-6 (1,3,2-Benzodioxaborole, 2-(2-phenylethyl)-)
156575-59-6 structure
Product Name:1,3,2-Benzodioxaborole, 2-(2-phenylethyl)-
CAS No:156575-59-6
MF:C14H13BO2
MW:224.062824010849
CID:1332771
PubChem ID:12168194
Update Time:2025-04-20
1,3,2-Benzodioxaborole, 2-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Benzodioxaborole, 2-(2-phenylethyl)-
- 2-(2-phenylethyl)-1,3,2-benzodioxaborole
- 1,3,2-Benzodioxaborole,2-(2-phenylethyl)
- 2-(2-phenylethyl)benzo-1,3,2-dioxaborole
- PhCH2CH2BCat
- 156575-59-6
- 2-Phenethylbenzo[d][1,3,2]dioxaborole
- DTXSID90479064
-
- Inchi： 1S/C14H13BO2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2
- InChI Key： KJJDSDSIHMSXPF-UHFFFAOYSA-N
- SMILES： O1B(CCC2C=CC=CC=2)OC2C=CC=CC1=2
Computed Properties
- Exact Mass: 224.10100
- Monoisotopic Mass: 224.1008598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 226
- 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: 18.5?2
Experimental Properties
- PSA: 18.46000
- LogP: 3.18870
1,3,2-Benzodioxaborole, 2-(2-phenylethyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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