Cas no 89100-59-4 (Benzoic acid, 4-fluoro-, 4-hydroxyphenyl ester)
89100-59-4 structure
Product Name:Benzoic acid, 4-fluoro-, 4-hydroxyphenyl ester
CAS No:89100-59-4
MF:C13H9FO3
MW:232.207167387009
CID:612313
PubChem ID:10421435
Update Time:2025-04-19
Benzoic acid, 4-fluoro-, 4-hydroxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-fluoro-, 4-hydroxyphenyl ester
- (4-hydroxyphenyl) 4-fluorobenzoate
- 89100-59-4
- SCHEMBL532901
- 4-HYDROXYPHENYL 4-FLUOROBENZOATE
- DTXSID40439638
-
- Inchi： 1S/C13H9FO3/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8,15H
- InChI Key： SBGIMQDVJFIAGC-UHFFFAOYSA-N
- SMILES： FC1C=CC(C(=O)OC2C=CC(=CC=2)O)=CC=1
Computed Properties
- Exact Mass: 232.05357231g/mol
- Monoisotopic Mass: 232.05357231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 253
- 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: 3.3
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 4-fluoro-, 4-hydroxyphenyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
89100-59-4 (Benzoic acid, 4-fluoro-, 4-hydroxyphenyl ester) Related Products
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