Cas no 70016-01-2 (Benzothiazole,4,5,6,7-tetrafluoro-)
70016-01-2 structure
Product Name:Benzothiazole,4,5,6,7-tetrafluoro-
CAS No:70016-01-2
MF:C7HF4NS
MW:207.148154020309
CID:547971
Update Time:2024-03-05
Benzothiazole,4,5,6,7-tetrafluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,4,5,6,7-tetrafluoro-
- Benzothiazole, 4,5,6,7-tetrafluoro- (9CI)
- 4,5,6,7-tetrafluoro-1,3-benzothiazole
- Benzothiazole, 4,5,6,7-tetrafluoro-
-
- Inchi： 1S/C7HF4NS/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H
- InChI Key： SHIFMRSSNXDMBJ-UHFFFAOYSA-N
- SMILES： S1C2=C(F)C(F)=C(F)C(F)=C2N=C1
Computed Properties
- Exact Mass: 206.97663
- Monoisotopic Mass: 206.977
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 205
- 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
- Topological Polar Surface Area: 41.1A^2
Experimental Properties
- PSA: 12.89
Benzothiazole,4,5,6,7-tetrafluoro- Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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