Cas no 14016-00-3 (Benzoxazole, 6-methyl-2-phenyl-)
14016-00-3 structure
Product Name:Benzoxazole, 6-methyl-2-phenyl-
CAS No:14016-00-3
MF:C14H11NO
MW:209.243243455887
CID:1283885
PubChem ID:12370780
Update Time:2025-04-20
Benzoxazole, 6-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 6-methyl-2-phenyl-
- 6-methyl-2-phenyl-1,3-benzoxazole
- 6-Methyl-2-phenylbenzo[d]oxazole
- 6-methyl-2-phenyl-benzoxazole
- AKOS005764490
- HNTGXYVCUNUJGL-UHFFFAOYSA-N
- 6-methyl-2-phenylbenzoxazole
- DTXSID40494808
- CHEMBL3246575
- 6-methyl-2-phenyl-benzooxazole
- SCHEMBL436386
- HS-6531
- 14016-00-3
-
- Inchi： 1S/C14H11NO/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3
- InChI Key： HNTGXYVCUNUJGL-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=NC2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 209.084063974g/mol
- Monoisotopic Mass: 209.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- 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: 3.8
- Topological Polar Surface Area: 26?2
Benzoxazole, 6-methyl-2-phenyl- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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