Cas no 826990-64-1 (3-Benzofurancarboxylicacid, 5-fluoro-2-methyl-, ethyl ester)
826990-64-1 structure
Product Name:3-Benzofurancarboxylicacid, 5-fluoro-2-methyl-, ethyl ester
CAS No:826990-64-1
MF:C12H11FO3
MW:222.212347269058
CID:715917
PubChem ID:45097733
Update Time:2025-04-19
3-Benzofurancarboxylicacid, 5-fluoro-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzofurancarboxylicacid, 5-fluoro-2-methyl-, ethyl ester
- 3-Benzofurancarboxylicacid,5-fluoro-2-methyl-,ethylester(9CI)
- ethyl 5-fluoro-2-methyl-1-benzofuran-3-carboxylate
- 826990-64-1
- ethyl 5-fluoro-2-methylbenzofuran-3-carboxylate
- 3-benzo[b]furancarboxylic acid,5-fluoro-2-methyl-,ethyl ester
-
- Inchi： 1S/C12H11FO3/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6H,3H2,1-2H3
- InChI Key： UPOGCHBABZRMQY-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)C(C(=O)OCC)=C(C)O2
Computed Properties
- Exact Mass: 222.06922237g/mol
- Monoisotopic Mass: 222.06922237g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 269
- 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
- Topological Polar Surface Area: 39.4?2
3-Benzofurancarboxylicacid, 5-fluoro-2-methyl-, ethyl ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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