Cas no 80790-96-1 (Benzene, 3-(heptadecafluorooctyl)-1,2,4,5-tetramethyl-)
80790-96-1 structure
Product Name:Benzene, 3-(heptadecafluorooctyl)-1,2,4,5-tetramethyl-
CAS No:80790-96-1
MF:C18H13F17
MW:552.268685102463
CID:705032
PubChem ID:12871963
Update Time:2025-04-19
Benzene, 3-(heptadecafluorooctyl)-1,2,4,5-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 3-(heptadecafluorooctyl)-1,2,4,5-tetramethyl-
- 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,2,4,5-tetramethylbenzene
- DTXSID80512035
- 80790-96-1
- 3-(Heptadecafluorooctyl)-1,2,4,5-tetramethylbenzene
-
- Inchi： 1S/C18H13F17/c1-6-5-7(2)9(4)10(8(6)3)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h5H,1-4H3
- InChI Key： ZOGQTAVALQSFND-UHFFFAOYSA-N
- SMILES： FC(C(C(C1C(C)=C(C)C=C(C)C=1C)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Computed Properties
- Exact Mass: 552.0745792g/mol
- Monoisotopic Mass: 552.0745792g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 35
- Rotatable Bond Count: 7
- Complexity: 752
- 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: 9
- Topological Polar Surface Area: 0?2
Benzene, 3-(heptadecafluorooctyl)-1,2,4,5-tetramethyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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