Cas no 62172-93-4 (Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-)
62172-93-4 structure
Product Name:Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-
CAS No:62172-93-4
MF:C9H6F4O3
MW:238.135756969452
CID:455587
PubChem ID:13911471
Update Time:2025-04-19
Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzoic acid
- Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-
- 62172-93-4
- SCHEMBL9766130
- DTXSID60552378
- 4-(Methoxymethyl)-2,3,5,6-tetrafluorobenzoic acid
- GTGNCCLBQDCJHN-UHFFFAOYSA-N
-
- Inchi： 1S/C9H6F4O3/c1-16-2-3-5(10)7(12)4(9(14)15)8(13)6(3)11/h2H2,1H3,(H,14,15)
- InChI Key： GTGNCCLBQDCJHN-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=O)O)C(=C(C=1COC)F)F)F
Computed Properties
- Exact Mass: 238.02528
- Monoisotopic Mass: 238.02530670g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 247
- 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: 1.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
62172-93-4 (Benzoic acid, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-) Related Products
- 2358-29-4(2,3,6-Trifluorobenzoic acid)
- 602-94-8(Pentafluorobenzoic acid)
- 4519-39-5(2,3-Difluorobenzoic acid)
- 122894-73-9(Ethyl 2,3,4,5-tetrafluorobenzoate)
- 4522-93-4(Ethyl pentafluorobenzoate)
- 61079-72-9(2,3,4-Trifluorobenzoic acid)
- 1551-39-9(Tetrafluoroisophthalic acid)
- 652-18-6(2,3,5,6-Tetrafluorobenzoic acid)
- 652-36-8(2,3,5,6-Tetrafluoroterephthalic Acid)
- 654-87-5(2,3,5-Trifluorobenzoic acid)
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