Cas no 94695-49-5 (diethyl (2,3,4,5-tetrafluorobenzoyl)malonate)
94695-49-5 structure
Product Name:diethyl (2,3,4,5-tetrafluorobenzoyl)malonate
CAS No:94695-49-5
MF:C14H12F4O5
MW:336.235698699951
CID:3042376
PubChem ID:13564973
Update Time:2025-04-21
diethyl (2,3,4,5-tetrafluorobenzoyl)malonate Chemical and Physical Properties
Names and Identifiers
-
- diethyl (2,3,4,5-tetrafluorobenzoyl)malonate
- diethyl-2,3,4,5-tetrafluoro benzoyl malonate; diethyl 2,3,4,5-tetrafluorobenzoyl-malonate; diethyl 2,3,4,5-tetrafluorobenzoylmalonate
- 94695-49-5
- diethyl 2,3,4,5-tetra-fluorobenzoylmalonate
- diethyl 2-(2,3,4,5-tetrafluorobenzoyl)malonate
- DTXSID301205161
- diethyl 2,3,4,5-tetrafluorobenzoylmalonate
- WNSKAEJGWQCOQH-UHFFFAOYSA-N
- diethyl 2,3,4,5-tetrafluorobenzoyl-malonate
- SCHEMBL6779772
- 1,3-Diethyl 2-(2,3,4,5-tetrafluorobenzoyl)propanedioate
- diethyl 2-(2,3,4,5-tetrafluorobenzoyl)propanedioate
- diethyl 2,3,4,5-tetrafluoro-benzoyl-malonate
-
- Inchi： 1S/C14H12F4O5/c1-3-22-13(20)8(14(21)23-4-2)12(19)6-5-7(15)10(17)11(18)9(6)16/h5,8H,3-4H2,1-2H3
- InChI Key： WNSKAEJGWQCOQH-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=CC=1C(C(C(=O)OCC)C(=O)OCC)=O)F)F)F
Computed Properties
- Exact Mass: 336.06200
- Monoisotopic Mass: 336.06208613Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 440
- 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: 2.9
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67000
- LogP: 2.16810
diethyl (2,3,4,5-tetrafluorobenzoyl)malonate Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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