Cas no 123876-16-4 (Benzoyl fluoride,3-(difluoromethoxy)-)
123876-16-4 structure
Product Name:Benzoyl fluoride,3-(difluoromethoxy)-
CAS No:123876-16-4
MF:C8H5F3O2
MW:190.119313001633
CID:103970
PubChem ID:45081657
Update Time:2025-04-18
Benzoyl fluoride,3-(difluoromethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl fluoride,3-(difluoromethoxy)-
- 3-(difluoromethoxy)benzoyl fluoride
- Benzoyl fluoride, 3-(difluoromethoxy)- (9CI)
- DTXSID70664754
- 123876-16-4
-
- Inchi： 1S/C8H5F3O2/c9-7(12)5-2-1-3-6(4-5)13-8(10)11/h1-4,8H
- InChI Key： MKEPGCHNSVGLQV-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)OC(F)F)=O
Computed Properties
- Exact Mass: 190.02415
- Monoisotopic Mass: 190.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 184
- 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: 3.4
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- PSA: 26.3
Benzoyl fluoride,3-(difluoromethoxy)- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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