Cas no 62172-90-1 (Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-, methyl ester)
62172-90-1 structure
Product Name:Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-, methyl ester
CAS No:62172-90-1
MF:C10H8F4O3
MW:252.162337303162
CID:455590
PubChem ID:71389131
Update Time:2025-04-19
Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-, methyl ester
- methyl 2,3,4,5-tetrafluoro-6-(methoxymethyl)benzoate
- DTXSID10811169
- 62172-90-1
-
- Inchi： 1S/C10H8F4O3/c1-16-3-4-5(10(15)17-2)7(12)9(14)8(13)6(4)11/h3H2,1-2H3
- InChI Key： BKFOWOJKOGCJOO-UHFFFAOYSA-N
- SMILES： FC1=C(C(=C(C(C(=O)OC)=C1COC)F)F)F
Computed Properties
- Exact Mass: 252.04094
- Monoisotopic Mass: 252.04095676g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 1.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-, methyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
62172-90-1 (Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-, methyl ester) Related Products
- 5292-42-2(Methyl 2,3,4,5-tetrafluorobenzoate)
- 36629-42-2(Methyl pentafluorobenzoate)
- 122894-73-9(Ethyl 2,3,4,5-tetrafluorobenzoate)
- 4522-93-4(Ethyl pentafluorobenzoate)
- 351354-41-1(Ethyl 2,4,5-trifluorobenzoate)
- 197516-57-7(Methyl 2-fluoro-6-methylbenzoate)
- 20372-66-1(Methyl 2,4,5-trifluorobenzoate)
- 90259-30-6(Ethyl 2-fluoro-6-methylbenzoate)
- 652-12-0(Tetrafluorophthalic Anhydride)
- 18355-74-3(Methyl 2,3-difluorobenzoate)
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