Cas no 87591-05-7 (2,6-diisopropylfluorobenzene)
2,6-diisopropylfluorobenzene structure
Product Name:2,6-diisopropylfluorobenzene
CAS No:87591-05-7
MF:C12H17F
MW:180.261787176132
CID:861425
PubChem ID:145135
Update Time:2025-04-19
2,6-diisopropylfluorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2,6-diisopropylfluorobenzene
- 2-fluoro-1,3-di(propan-2-yl)benzene
- 2-Fluoro-1,3-diisopropyl-benzene
- 87591-05-7
- AKOS040745800
- 2-Fluoro-1,3-diisopropylbenzene
- Fropofol
- starbld0002972
- DTXSID90236497
- SCHEMBL16940689
-
- Inchi： 1S/C12H17F/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
- InChI Key： WAWGGRDKKRRDOY-UHFFFAOYSA-N
- SMILES： FC1C(=CC=CC=1C(C)C)C(C)C
Computed Properties
- Exact Mass: 180.131428704g/mol
- Monoisotopic Mass: 180.131428704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 135
- 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: 4.2
- Topological Polar Surface Area: 0?2
2,6-diisopropylfluorobenzene Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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