Cas no 203115-86-0 (Benzene, 1-fluoro-2-(hexyloxy)-)
203115-86-0 structure
Product Name:Benzene, 1-fluoro-2-(hexyloxy)-
CAS No:203115-86-0
MF:C12H17FO
MW:196.261187314987
CID:2840463
PubChem ID:10703044
Update Time:2025-04-21
Benzene, 1-fluoro-2-(hexyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 203115-86-0
- DTXSID70443703
- DTXCID70394524
- Benzene, 1-fluoro-2-(hexyloxy)-
- SCHEMBL6888665
-
- Inchi： 1S/C12H17FO/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13/h5-6,8-9H,2-4,7,10H2,1H3
- InChI Key： XIXOSIMYFBPPFE-UHFFFAOYSA-N
- SMILES： FC1C=CC=CC=1OCCCCCC
Computed Properties
- Exact Mass: 196.126343324Da
- Monoisotopic Mass: 196.126343324Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 138
- 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: 4.3
- Topological Polar Surface Area: 9.2?2
Benzene, 1-fluoro-2-(hexyloxy)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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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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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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