Cas no 62172-92-3 (Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-)
62172-92-3 structure
Product Name:Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-
CAS No:62172-92-3
MF:C9H6F4O3
MW:238.135756969452
CID:455588
PubChem ID:71389130
Update Time:2025-04-19
Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3,4,5-tetrafluoro-6-(methoxymethyl)-
- 2,3,4,5-tetrafluoro-6-(methoxymethyl)benzoic acid
- 62172-92-3
- DTXSID50811168
-
- Inchi： 1S/C9H6F4O3/c1-16-2-3-4(9(14)15)6(11)8(13)7(12)5(3)10/h2H2,1H3,(H,14,15)
- InChI Key： VNOHYGGIYVAKGB-UHFFFAOYSA-N
- SMILES： FC1=C(C(=C(C(C(=O)O)=C1COC)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: 263
- 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, 2,3,4,5-tetrafluoro-6-(methoxymethyl)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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