Cas no 448-40-8 (2-Acetyloxy-5-fluorobenzoic acid)
448-40-8 structure
Product Name:2-Acetyloxy-5-fluorobenzoic acid
CAS No:448-40-8
MF:C9H7FO4
MW:198.147886514664
CID:2856139
PubChem ID:5314989
Update Time:2025-04-21
2-Acetyloxy-5-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(ACETYLOXY)-5-FLUOROBENZOIC ACID
- 448-40-8
- KTXWQAHMSLBFKW-UHFFFAOYSA-N
- DTXSID501298277
- AKOS002666453
- 2-acetyloxy-5-fluorobenzoic acid
- Benzoic acid, 2-(acetyloxy)-5-fluoro-
- 2-Acetoxy-5-fluoro benzoic acid
- DB-202290
- ghl.PD_Mitscher_leg0.1201
- SCHEMBL1162085
- 2-Acetyloxy-5-fluorobenzoic acid
-
- Inchi： 1S/C9H7FO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)
- InChI Key： KTXWQAHMSLBFKW-UHFFFAOYSA-N
- SMILES： FC1C=CC(=C(C(=O)O)C=1)OC(C)=O
Computed Properties
- Exact Mass: 198.03283686Da
- Monoisotopic Mass: 198.03283686Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 241
- 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: 1.3
- Topological Polar Surface Area: 63.6?2
2-Acetyloxy-5-fluorobenzoic acid Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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