Cas no 127269-25-4 (Benzoyl fluoride,3,4-difluoro-)
127269-25-4 structure
Product Name:Benzoyl fluoride,3,4-difluoro-
CAS No:127269-25-4
MF:C7H3F3O
MW:160.093332529068
CID:103190
PubChem ID:10154183
Update Time:2025-04-18
Benzoyl fluoride,3,4-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl fluoride,3,4-difluoro-
- 3,4-difluorobenzoyl fluoride
- Benzoyl fluoride, 3,4-difluoro- (9CI)
- 127269-25-4
- SCHEMBL9617322
-
- Inchi： 1S/C7H3F3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
- InChI Key： GWNFKYKVGFEKJI-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(C(=O)F)=C1)F
Computed Properties
- Exact Mass: 160.01400
- Monoisotopic Mass: 160.01359920g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 2.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 2.07450
Benzoyl fluoride,3,4-difluoro- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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