Cas no 29052-04-8 (3-Fluorophenyl butyrate)
3-Fluorophenyl butyrate structure
Product Name:3-Fluorophenyl butyrate
CAS No:29052-04-8
MF:C10H11FO2
MW:182.191546678543
CID:2662693
Update Time:2023-08-06
3-Fluorophenyl butyrate Chemical and Physical Properties
Names and Identifiers
-
- (3-fluorophenyl) butanoate
- 3-Fluorophenyl butyrate
- Butyric acid, m-fluorophenyl ester
- 3-Fluorophenyl butyrate #
- SHCNTDLJWWRFEU-UHFFFAOYSA-N
- Butyric acid 3-fluorophenyl ester
-
- Inchi： 1S/C10H11FO2/c1-2-4-10(12)13-9-6-3-5-8(11)7-9/h3,5-7H,2,4H2,1H3
- InChI Key： SHCNTDLJWWRFEU-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)OC(CCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3
3-Fluorophenyl butyrate Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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