Cas no 106112-36-1 (9H-Fluorene-4-acetonitrile, 2,7-bis(1,1-dimethylethyl)-)
106112-36-1 structure
Product Name:9H-Fluorene-4-acetonitrile, 2,7-bis(1,1-dimethylethyl)-
CAS No:106112-36-1
MF:C23H27N
MW:317.46718621254
CID:1174568
PubChem ID:13547539
Update Time:2025-04-20
9H-Fluorene-4-acetonitrile, 2,7-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Fluorene-4-acetonitrile, 2,7-bis(1,1-dimethylethyl)-
- 2-(2,7-ditert-butyl-9H-fluoren-4-yl)acetonitrile
- 106112-36-1
- DTXSID80543465
- (2,7-Di-tert-butyl-9H-fluoren-4-yl)acetonitrile
-
- Inchi： 1S/C23H27N/c1-22(2,3)18-7-8-20-16(13-18)11-17-14-19(23(4,5)6)12-15(9-10-24)21(17)20/h7-8,12-14H,9,11H2,1-6H3
- InChI Key： RIKUXKXIBXMUIH-UHFFFAOYSA-N
- SMILES： N#CCC1=CC(=CC2CC3C=C(C=CC=3C=21)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 317.21451
- Monoisotopic Mass: 317.214349865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 496
- 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: 6.5
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
9H-Fluorene-4-acetonitrile, 2,7-bis(1,1-dimethylethyl)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
106112-36-1 (9H-Fluorene-4-acetonitrile, 2,7-bis(1,1-dimethylethyl)-) Related Products
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