Cas no 709046-13-9 (1-(6-fluoro-1H-indazol-1-yl)-Ethanone)
709046-13-9 structure
Product Name:1-(6-fluoro-1H-indazol-1-yl)-Ethanone
CAS No:709046-13-9
MF:C9H7FN2O
MW:178.163085222244
CID:1116398
PubChem ID:76852744
Update Time:2025-04-20
1-(6-fluoro-1H-indazol-1-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(6-fluoro-1H-indazol-1-yl)-Ethanone
- 1-(6-Fluoro-1H-indazol-1-yl)ethan-1-one
- 1-(6-FLUOROINDAZOL-1-YL)ETHANONE
- 709046-13-9
- 1-(6-Fluoro-1H-indazol-1-yl)ethanone
- DB-345367
-
- Inchi: 1S/C9H7FN2O/c1-6(13)12-9-4-8(10)3-2-7(9)5-11-12/h2-5H,1H3
- InChI Key: XDJNPIATRJVLPY-UHFFFAOYSA-N
- SMILES: FC1C=CC2C=NN(C(C)=O)C=2C=1
Computed Properties
- Exact Mass: 178.05400
- Monoisotopic Mass: 178.05424101g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 222
- 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: 1.6
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89000
- LogP: 1.83550
1-(6-fluoro-1H-indazol-1-yl)-Ethanone Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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