Cas no 330206-45-6 (Benzoxazole, 6-fluoro-2-phenyl-)
330206-45-6 structure
Product Name:Benzoxazole, 6-fluoro-2-phenyl-
CAS No:330206-45-6
MF:C13H8FNO
MW:213.207126617432
CID:1459843
PubChem ID:10774941
Update Time:2025-04-20
Benzoxazole, 6-fluoro-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 6-fluoro-2-phenyl-
- 6-fluoro-2-phenyl-1,3-benzoxazole
- 330206-45-6
- HS-4861
-
- Inchi： 1S/C13H8FNO/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H
- InChI Key： XUOIBUTUURVPES-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)OC(C1C=CC=CC=1)=N2
Computed Properties
- Exact Mass: 213.05904
- Monoisotopic Mass: 213.058992041g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 242
- 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: 3.5
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Benzoxazole, 6-fluoro-2-phenyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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