Cas no 104462-82-0 (2-cyclohexyl-1,3-benzoxazole)
2-cyclohexyl-1,3-benzoxazole structure
Product Name:2-cyclohexyl-1,3-benzoxazole
CAS No:104462-82-0
MF:C13H15NO
MW:201.264303445816
CID:1143304
PubChem ID:1523137
Update Time:2025-04-20
2-cyclohexyl-1,3-benzoxazole Chemical and Physical Properties
Names and Identifiers
-
- 2-cyclohexyl-1,3-benzoxazole
- ACMC-20m78p
- CTK0G6315
- 2-cyclohexyl-benzoxazole
- 2-(cyclohexyl)benzoxazole
- 2-cyclohexylbenzo[d]oxazole
- SureCN1128181
- 2-cyclohexylbenzoxazole
- AC1LU84B
- 2-Cyclohexyl-benzoxazol
- Benzoxazole, 2-cyclohexyl-
- ACMC-20m78p; CTK0G6315; 2-cyclohexyl-benzoxazole; 2-(cyclohexyl)benzoxazole; 2-cyclohexylbenzo[d]oxazole; SureCN1128181; 2-cyclohexylbenzoxazole; AC1LU84B; 2-Cyclohexyl-benzoxazol; Benzoxazole, 2-cyclohexyl-;
- 104462-82-0
- SCHEMBL1128181
- DTXSID40364113
-
- Inchi： 1S/C13H15NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10H,1-3,6-7H2
- InChI Key： ZKYMHKBORYNLBO-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2N=C1C1CCCCC1
Computed Properties
- Exact Mass: 201.11545
- Monoisotopic Mass: 201.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 213
- 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
Experimental Properties
- PSA: 26.03
- LogP: 3.87550
2-cyclohexyl-1,3-benzoxazole Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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