Cas no 61794-58-9 (Benzene, 1-ethynyl-2,3,5,6-tetrafluoro-4-methyl-)
61794-58-9 structure
Product Name:Benzene, 1-ethynyl-2,3,5,6-tetrafluoro-4-methyl-
CAS No:61794-58-9
MF:C9H4F4
MW:188.121676445007
CID:466055
PubChem ID:54028434
Update Time:2025-04-19
Benzene, 1-ethynyl-2,3,5,6-tetrafluoro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-ethynyl-2,3,5,6-tetrafluoro-4-methyl-
- 1-ethynyl-2,3,5,6-tetrafluoro-4-methylbenzene
- 61794-58-9
- SCHEMBL16627103
- DTXSID90708503
-
- Inchi： 1S/C9H4F4/c1-3-5-8(12)6(10)4(2)7(11)9(5)13/h1H,2H3
- InChI Key： VATPRDWDVCXUBS-UHFFFAOYSA-N
- SMILES： FC1C(=C(C#C)C(=C(C=1C)F)F)F
Computed Properties
- Exact Mass: 188.02492
- Monoisotopic Mass: 188.02491278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 215
- 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: 2.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-ethynyl-2,3,5,6-tetrafluoro-4-methyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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