Cas no 13436-50-5 (Ethanone,1-(2H-indazol-2-yl)-)
Ethanone,1-(2H-indazol-2-yl)- structure
Product Name:Ethanone,1-(2H-indazol-2-yl)-
CAS No:13436-50-5
MF:C9H8N2O
MW:160.17262172699
CID:119577
PubChem ID:15939275
Update Time:2025-04-18
Ethanone,1-(2H-indazol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2H-indazol-2-yl)-
- 2H-Indazole, 2-acetyl- (6CI,7CI,8CI,9CI)
- YPSMXSXOHKSUNM-UHFFFAOYSA-N
- 1-indazol-2-ylethanone
- InChI=1/C9H8N2O/c1-7(12)11-6-8-4-2-3-5-9(8)10-11/h2-6H,1H
- SCHEMBL6337523
- 1-(2H-indazol-2-yl)ethan-1-one
- 13436-50-5
- 2-Acetylindazole
- 2-Acetyl-2H-indazole
- 1-(2H-Indazol-2-yl)ethanone
-
- Inchi： 1S/C9H8N2O/c1-7(12)11-6-8-4-2-3-5-9(8)10-11/h2-6H,1H3
- InChI Key： YPSMXSXOHKSUNM-UHFFFAOYSA-N
- SMILES： O=C(C)N1C=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 160.06374
- Monoisotopic Mass: 160.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 1.5
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
Ethanone,1-(2H-indazol-2-yl)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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