Cas no 137654-22-9 (Benzoic acid, 2-fluoro-5-phenoxy-)
137654-22-9 structure
Product Name:Benzoic acid, 2-fluoro-5-phenoxy-
CAS No:137654-22-9
MF:C13H9FO3
MW:232.207167387009
CID:1253829
PubChem ID:15681056
Update Time:2025-04-20
Benzoic acid, 2-fluoro-5-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-fluoro-5-phenoxy-
- 2-FLUORO-5-PHENOXYBENZOIC ACID
- 2-fluoro-5-phenoxybenzenecarboxylic acid
- 137654-22-9
- YDKQOYMVJJFBBF-UHFFFAOYSA-N
- AKOS024264154
- SCHEMBL922752
- DTXSID601306255
-
- Inchi： 1S/C13H9FO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,(H,15,16)
- InChI Key： YDKQOYMVJJFBBF-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C=C1C(=O)O)OC1C=CC=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: 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: 3.3
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 2-fluoro-5-phenoxy- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
137654-22-9 (Benzoic acid, 2-fluoro-5-phenoxy-) Related Products
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