Cas no 61372-59-6 (Benzene, 1-fluoro-4-(4-methoxybutoxy)-)
61372-59-6 structure
Product Name:Benzene, 1-fluoro-4-(4-methoxybutoxy)-
CAS No:61372-59-6
MF:C11H15FO2
MW:198.234007120132
CID:481786
PubChem ID:59339546
Update Time:2025-04-19
Benzene, 1-fluoro-4-(4-methoxybutoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-fluoro-4-(4-methoxybutoxy)-
- 1-fluoro-4-(4-methoxybutoxy)benzene
- SCHEMBL13313232
- DTXSID10731570
- 61372-59-6
-
- Inchi： 1S/C11H15FO2/c1-13-8-2-3-9-14-11-6-4-10(12)5-7-11/h4-7H,2-3,8-9H2,1H3
- InChI Key： UGJRMSPLXBFWSI-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)OCCCCOC
Computed Properties
- Exact Mass: 198.10565
- Monoisotopic Mass: 198.10560788g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 133
- 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: 2.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1-fluoro-4-(4-methoxybutoxy)- Related Literature
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
61372-59-6 (Benzene, 1-fluoro-4-(4-methoxybutoxy)-) Related Products
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