Cas no 777-48-0 ( )
structure
Product Name:
CAS No:777-48-0
MF:C9H8FNO3
MW:197.163125991821
CID:868724
PubChem ID:53429561
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-fluoro-3-nitrophenyl)propan-1-one
- 3’-NITRO-4’-FLUOROPROPIOPHENONE
- 3-nitro-4-fluoropropiophenone
- 3'-NITRO-4'-FLUOROPROPIOPHENONE
- 4-Fluor-3-nitro-propiophenon
- methyl 1-(4-fluoro-3-nitro-phenyl)-ethanone
- SCHEMBL2249184
- 777-48-0
- DTXSID20700176
- LFWXJDOYODCISO-UHFFFAOYSA-N
-
-
- Inchi： 1S/C9H8FNO3/c1-2-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
- InChI Key： LFWXJDOYODCISO-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1[N+](=O)[O-])C(CC)=O
Computed Properties
- Exact Mass: 197.04900
- Monoisotopic Mass: 197.04882128g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 239
- 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
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 62.89000
- LogP: 2.84980
Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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