Cas no 130129-51-0 (1,3-Isobenzofurandione, 4,5,7-trifluoro-)
130129-51-0 structure
Product Name:1,3-Isobenzofurandione, 4,5,7-trifluoro-
CAS No:130129-51-0
MF:C8HF3O3
MW:202.086952924728
CID:3705186
PubChem ID:9815604
Update Time:2025-04-22
1,3-Isobenzofurandione, 4,5,7-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione, 4,5,7-trifluoro-
- SCHEMBL855571
- DTXSID501283969
- XQINKQVFUASLEF-UHFFFAOYSA-N
- 130129-51-0
- 3,4,6-trifluorophthalic anhydride
- 4,5,7-Trifluoro-1,3-isobenzofurandione
-
- Inchi： 1S/C8HF3O3/c9-2-1-3(10)6(11)5-4(2)7(12)14-8(5)13/h1H
- InChI Key： XQINKQVFUASLEF-UHFFFAOYSA-N
- SMILES： FC1=C(C=C(C2C(=O)OC(C=21)=O)F)F
Computed Properties
- Exact Mass: 201.98777838g/mol
- Monoisotopic Mass: 201.98777838g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 294
- 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: 1.6
- Topological Polar Surface Area: 43.4?2
1,3-Isobenzofurandione, 4,5,7-trifluoro- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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