Cas no 1010097-72-9 ( )
structure
Product Name:
CAS No:1010097-72-9
MF:C10H11FO3
MW:198.190946817398
CID:893031
PubChem ID:53425669
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 3-fluoro-2-propoxybenzoic acid
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- Inchi： 1S/C10H11FO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5H,2,6H2,1H3,(H,12,13)
- InChI Key： WFVQZKGCRDLDBX-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(C(=O)O)=C1OCCC
Computed Properties
- Exact Mass: 198.069222g/mol
- Monoisotopic Mass: 198.069222g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 196
- 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
- Molecular Weight: 198.19g/mol
- XLogP3: 2.4
- Topological Polar Surface Area: 46.5?2
Related Literature
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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