Cas no 863248-93-5 (1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-)
863248-93-5 structure
Product Name:1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-
CAS No:863248-93-5
MF:C11H11FN2O2
MW:222.215646028519
CID:582697
PubChem ID:67270108
Update Time:2025-04-19
1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)-
- 5-fluoro-1-propan-2-ylindazole-3-carboxylic acid
- 5-Fluoro-1-isopropyl-1H-indazole-3-carboxylic acid
- DTXSID60736717
- 5-Fluoro-1-(propan-2-yl)-1H-indazole-3-carboxylic acid
- SCHEMBL2077815
- IEIAQSWMJMZELU-UHFFFAOYSA-N
- 863248-93-5
-
- Inchi： 1S/C11H11FN2O2/c1-6(2)14-9-4-3-7(12)5-8(9)10(13-14)11(15)16/h3-6H,1-2H3,(H,15,16)
- InChI Key： IEIAQSWMJMZELU-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)C(C(=O)O)=NN2C(C)C
Computed Properties
- Exact Mass: 222.08045576g/mol
- Monoisotopic Mass: 222.08045576g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 2.2
- Topological Polar Surface Area: 55.1?2
1H-Indazole-3-carboxylic acid, 5-fluoro-1-(1-methylethyl)- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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