Cas no 777074-53-0 (4-((benzyloxy)carbonyl)-2-fluorobenzoic acid)
777074-53-0 structure
Product Name:4-((benzyloxy)carbonyl)-2-fluorobenzoic acid
CAS No:777074-53-0
MF:C15H11FO4
MW:274.243848085403
CID:2123306
PubChem ID:59295092
Update Time:2025-04-21
4-((benzyloxy)carbonyl)-2-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-((benzyloxy)carbonyl)-2-fluorobenzoic acid
- 2-Fluoroterephthalic acid 4-benzyl ester
- 4-(Phenylmethyl) 2-fluoro-1,4-benzenedicarboxylate
- SCHEMBL2984951
- HQJXVLQMRWNEEF-UHFFFAOYSA-N
- DTXSID001229930
- 777074-53-0
- DB-339560
-
- Inchi： 1S/C15H11FO4/c16-13-8-11(6-7-12(13)14(17)18)15(19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
- InChI Key： HQJXVLQMRWNEEF-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)O)C=CC(C(=O)OCC2C=CC=CC=2)=C1
Computed Properties
- Exact Mass: 274.064
- Monoisotopic Mass: 274.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 352
- 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
- Topological Polar Surface Area: 63.6A^2
- XLogP3: 2.9
4-((benzyloxy)carbonyl)-2-fluorobenzoic acid Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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