Cas no 874113-08-3 (Benzoic acid, 2-benzoyl-6-fluoro-)
874113-08-3 structure
Product Name:Benzoic acid, 2-benzoyl-6-fluoro-
CAS No:874113-08-3
MF:C14H9FO3
MW:244.217867612839
CID:1889175
PubChem ID:69334354
Update Time:2025-04-21
Benzoic acid, 2-benzoyl-6-fluoro- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-benzoyl-6-fluoro-
- SCHEMBL5155932
- benzoic acid,2-benzoyl-6-fluoro-
- 874113-08-3
-
- Inchi： 1S/C14H9FO3/c15-11-8-4-7-10(12(11)14(17)18)13(16)9-5-2-1-3-6-9/h1-8H,(H,17,18)
- InChI Key： IOZPQXFKUQTJPP-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(C(C2C=CC=CC=2)=O)=C1C(=O)O
Computed Properties
- Exact Mass: 244.05357231Da
- Monoisotopic Mass: 244.05357231Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 323
- 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: 2.9
- Topological Polar Surface Area: 54.4?2
Benzoic acid, 2-benzoyl-6-fluoro- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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