Cas no 849807-22-3 (Benzonitrile, 4-[[(6-fluoro-2-pyridinyl)oxy]methyl]-)
![Benzonitrile, 4-[[(6-fluoro-2-pyridinyl)oxy]methyl]- structure](https://ossimg.kuujia.com/scimg/850000/849807-22-3x500.png)
849807-22-3 structure
Product Name:Benzonitrile, 4-[[(6-fluoro-2-pyridinyl)oxy]methyl]-
CAS No:849807-22-3
MF:C13H9FN2O
MW:228.221766233444
CID:4226249
PubChem ID:59255294
Update Time:2025-04-24
Benzonitrile, 4-[[(6-fluoro-2-pyridinyl)oxy]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[[(6-fluoro-2-pyridinyl)oxy]methyl]-
- DB-088074
- SCHEMBL510206
- 4-(6-Fluoro-pyridin-2-yloxymethyl)-benzonitrile
- HCFLACUCALNWBE-UHFFFAOYSA-N
- 849807-22-3
-
- Inchi： 1S/C13H9FN2O/c14-12-2-1-3-13(16-12)17-9-11-6-4-10(8-15)5-7-11/h1-7H,9H2
- InChI Key： HCFLACUCALNWBE-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC=C(COC2=NC(F)=CC=C2)C=C1
Computed Properties
- Exact Mass: 228.06989108Da
- Monoisotopic Mass: 228.06989108Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 2.8
- Topological Polar Surface Area: 45.9?2
Benzonitrile, 4-[[(6-fluoro-2-pyridinyl)oxy]methyl]- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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