Cas no 87828-91-9 (1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)-)
87828-91-9 structure
Product Name:1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)-
CAS No:87828-91-9
MF:C15H13NO
MW:223.269823789597
CID:651929
PubChem ID:13127038
Update Time:2025-04-19
1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)-
- 3-(2,6-dimethylphenyl)-1,2-benzoxazole
- 87828-91-9
- DTXSID40520156
- 3-(2,6-dimethylphenyl)benzo[d]isoxazole
-
- Inchi： 1S/C15H13NO/c1-10-6-5-7-11(2)14(10)15-12-8-3-4-9-13(12)17-16-15/h3-9H,1-2H3
- InChI Key： BQZDSCDXHRFDII-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C(C2C(C)=CC=CC=2C)=N1
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: 1
- Complexity: 258
- 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: 4.1
- Topological Polar Surface Area: 26?2
1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
87828-91-9 (1,2-Benzisoxazole, 3-(2,6-dimethylphenyl)-) Related Products
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