Cas no 1415825-16-9 ()
structure
Product Name:
CAS No:1415825-16-9
MF:C7H9F2NO2
MW:177.14866900444
CID:6767326
PubChem ID:86721855
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi: 1S/C7H9F2NO2/c8-7(9)4-10(5-7)3-1-2-6(11)12/h1-2H,3-5H2,(H,11,12)/b2-1+
- InChI Key: ICGGWBQKZMZMAX-OWOJBTEDSA-N
- SMILES: FC1(CN(C/C=C/C(=O)O)C1)F
Computed Properties
- Exact Mass: 177.06013485g/mol
- Monoisotopic Mass: 177.06013485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 208
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.8
- Topological Polar Surface Area: 40.5?2
Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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