Cas no 1044067-62-0 (4-(Benzyloxy)-3-fluorobenzonitrile)
1044067-62-0 structure
Product Name:4-(Benzyloxy)-3-fluorobenzonitrile
CAS No:1044067-62-0
MF:C14H10FNO
MW:227.233706951141
CID:2861725
Update Time:2023-08-10
4-(Benzyloxy)-3-fluorobenzonitrile Chemical and Physical Properties
Names and Identifiers
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- 4-(benzyloxy)-3-fluorobenzonitrile
- 4-(Benzyloxy)-3-fluorobenzonitrile
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- Inchi： 1S/C14H10FNO/c15-13-8-12(9-16)6-7-14(13)17-10-11-4-2-1-3-5-11/h1-8H,10H2
- InChI Key： GYEMVJFIDGHPMK-UHFFFAOYSA-N
- SMILES： FC1C=C(C#N)C=CC=1OCC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 279
- XLogP3: 3.2
- Topological Polar Surface Area: 33
4-(Benzyloxy)-3-fluorobenzonitrile Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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