Cas no 921941-74-4 (1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-, ethyl ester)
921941-74-4 structure
Product Name:1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-, ethyl ester
CAS No:921941-74-4
MF:C13H15FN2O2
MW:250.268806695938
CID:742631
PubChem ID:67271032
Update Time:2025-04-19
1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-, ethyl ester
- ethyl 5-fluoro-1-propan-2-ylindazole-3-carboxylate
- 921941-74-4
- Ethyl 5-fluoro-1-isopropyl-1H-indazole-3-carboxylate
- DTXSID90736720
- SCHEMBL2080278
- ZZONRMWBOKYXHT-UHFFFAOYSA-N
- Ethyl 5-fluoro-1-(propan-2-yl)-1H-indazole-3-carboxylate
-
- Inchi： 1S/C13H15FN2O2/c1-4-18-13(17)12-10-7-9(14)5-6-11(10)16(15-12)8(2)3/h5-8H,4H2,1-3H3
- InChI Key： ZZONRMWBOKYXHT-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)C(C(=O)OCC)=NN2C(C)C
Computed Properties
- Exact Mass: 250.11175589g/mol
- Monoisotopic Mass: 250.11175589g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 311
- 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: 44.1?2
1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-, ethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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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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