Cas no 77976-07-9 (Benzoyl fluoride,3-cyano-)
Benzoyl fluoride,3-cyano- structure
Product Name:Benzoyl fluoride,3-cyano-
CAS No:77976-07-9
MF:C8H4FNO
MW:149.121865272522
CID:551238
PubChem ID:23234160
Update Time:2025-04-19
Benzoyl fluoride,3-cyano- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl fluoride,3-cyano-
- 3-cyanobenzoyl fluoride
- Benzoyl fluoride, 3-cyano- (9CI)
- DTXSID50631368
- 77976-07-9
-
- Inchi： 1S/C8H4FNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H
- InChI Key： LLGFXZPQMCRGQD-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=C(C#N)C=1)=O
Computed Properties
- Exact Mass: 149.02772
- Monoisotopic Mass: 149.027691913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 1.9
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Benzoyl fluoride,3-cyano- Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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