Cas no 492444-06-1 (Methyl 6-fluoro-2,3-dihydroxybenzoate)
492444-06-1 structure
Product Name:Methyl 6-fluoro-2,3-dihydroxybenzoate
CAS No:492444-06-1
MF:C8H7FO4
MW:186.137186288834
CID:2653509
PubChem ID:17980563
Update Time:2025-04-21
Methyl 6-fluoro-2,3-dihydroxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 6-fluoro-2,3-dihydroxy-, methyl ester
- 492444-06-1
- SCHEMBL4497012
- DTXSID601221534
- methyl 6-fluoro-2,3-dihydroxybenzoate
- Methyl 6-fluoro-2,3-dihydroxybenzoate
-
- Inchi： 1S/C8H7FO4/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3,10-11H,1H3
- InChI Key： ATKNMUYEXNLVQT-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C(=C1C(=O)OC)O)O
Computed Properties
- Exact Mass: 186.03283686g/mol
- Monoisotopic Mass: 186.03283686g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 197
- 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: 1.7
- Topological Polar Surface Area: 66.8?2
Methyl 6-fluoro-2,3-dihydroxybenzoate Related Literature
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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
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
492444-06-1 (Methyl 6-fluoro-2,3-dihydroxybenzoate) Related Products
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