Cas no 1383706-60-2 (3-ethynyl-6-fluoro-1H-Indazole)
1383706-60-2 structure
Product Name:3-ethynyl-6-fluoro-1H-Indazole
CAS No:1383706-60-2
MF:C9H5FN2
MW:160.14780497551
CID:2134869
Update Time:2023-11-19
3-ethynyl-6-fluoro-1H-Indazole Chemical and Physical Properties
Names and Identifiers
-
- 3-ethynyl-6-fluoro-1H-Indazole
- 1H-Indazole, 3-ethynyl-6-fluoro-
- CID 89846460
-
- Inchi： 1S/C9H5FN2/c1-2-8-7-4-3-6(10)5-9(7)12-11-8/h1,3-5H,(H,11,12)
- InChI Key： KULUOPHHVAIGQQ-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C#C)NN=C2C=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 220
- Topological Polar Surface Area: 28.7
3-ethynyl-6-fluoro-1H-Indazole Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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