Cas no 83318-25-6 ( )
structure
Product Name:
CAS No:83318-25-6
MF:C15H13NO
MW:223.269823789597
CID:988745
PubChem ID:291084
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-phenylethyl)-1,3-benzoxazole
- SCHEMBL10582102
- NSC-155607
- DTXSID00302990
- CHEMBL2260615
- 2-PHENETHYLBENZO[D]OXAZOLE
- NSC155607
- 83318-25-6
-
-
- Inchi： 1S/C15H13NO/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： OVIWOLXACFGATB-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2N=C1CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 223.099714038g/mol
- Monoisotopic Mass: 223.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 237
- 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: 4
- Topological Polar Surface Area: 26?2
Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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