Cas no 942215-53-4 (2-(4-Bromophenyl)-5-Benzoxazolecarbonitrile)
942215-53-4 structure
Product Name:2-(4-Bromophenyl)-5-Benzoxazolecarbonitrile
CAS No:942215-53-4
MF:C14H7BrN2O
MW:299.122182130814
CID:2104394
Update Time:2023-08-03
2-(4-Bromophenyl)-5-Benzoxazolecarbonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(4-bromophenyl)-5-Benzoxazolecarbonitrile
- 2-(4-Bromophenyl)-5-Benzoxazolecarbonitrile
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- Inchi： 1S/C14H7BrN2O/c15-11-4-2-10(3-5-11)14-17-12-7-9(8-16)1-6-13(12)18-14/h1-7H
- InChI Key： KUGAMILBCUHDFQ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=NC2C=C(C#N)C=CC=2O1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 345
- Topological Polar Surface Area: 49.8
2-(4-Bromophenyl)-5-Benzoxazolecarbonitrile Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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