Cas no 82129-52-0 (1,3-Butanedione, 1-phenyl-4-[3-(trifluoromethyl)phenyl]-)
![1,3-Butanedione, 1-phenyl-4-[3-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/82500/82129-52-0x500.png)
82129-52-0 structure
Product Name:1,3-Butanedione, 1-phenyl-4-[3-(trifluoromethyl)phenyl]-
CAS No:82129-52-0
MF:C17H13F3O2
MW:306.279135465622
CID:697838
PubChem ID:13201828
Update Time:2025-04-19
1,3-Butanedione, 1-phenyl-4-[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione, 1-phenyl-4-[3-(trifluoromethyl)phenyl]-
- 1-phenyl-4-[3-(trifluoromethyl)phenyl]butane-1,3-dione
- 1-phenyl-4-(3-trifluoromethylphenyl)-1,3-butanedione
- SCHEMBL11276189
- 82129-52-0
- DTXSID60527046
-
- Inchi： 1S/C17H13F3O2/c18-17(19,20)14-8-4-5-12(9-14)10-15(21)11-16(22)13-6-2-1-3-7-13/h1-9H,10-11H2
- InChI Key： VHYOWSXFZOCIDV-UHFFFAOYSA-N
- SMILES： FC(C1=CC=CC(=C1)CC(CC(C1C=CC=CC=1)=O)=O)(F)F
Computed Properties
- Exact Mass: 306.08676414g/mol
- Monoisotopic Mass: 306.08676414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 397
- 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: 3.9
- Topological Polar Surface Area: 34.1?2
1,3-Butanedione, 1-phenyl-4-[3-(trifluoromethyl)phenyl]- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
82129-52-0 (1,3-Butanedione, 1-phenyl-4-[3-(trifluoromethyl)phenyl]-) Related Products
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