Cas no 89847-85-8 (Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-, methyl ester)
89847-85-8 structure
Product Name:Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-, methyl ester
CAS No:89847-85-8
MF:C8H3ClF4O2
MW:242.554835557938
CID:587105
PubChem ID:71326521
Update Time:2025-04-19
Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-, methyl ester
- methyl 4-chloro-2,3,5,6-tetrafluorobenzoate
- DTXSID50755699
- 89847-85-8
-
- Inchi： 1S/C8H3ClF4O2/c1-15-8(14)2-4(10)6(12)3(9)7(13)5(2)11/h1H3
- InChI Key： KBQXOVCREFAEIP-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C(=O)OC)C(=C1F)F)F)F
Computed Properties
- Exact Mass: 241.9757697g/mol
- Monoisotopic Mass: 241.9757697g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 237
- 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: 2.8
- Topological Polar Surface Area: 26.3?2
Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-, methyl ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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