Cas no 672931-20-3 (Benzenemethanol, 4-fluoro-3-(methoxymethoxy)-)
672931-20-3 structure
Product Name:Benzenemethanol, 4-fluoro-3-(methoxymethoxy)-
CAS No:672931-20-3
MF:C9H11FO3
MW:186.180246591568
CID:1714533
PubChem ID:23074311
Update Time:2025-04-21
Benzenemethanol, 4-fluoro-3-(methoxymethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 4-fluoro-3-(methoxymethoxy)-
- 672931-20-3
- 4-fluoro-3-(methoxymethoxy)benzyl alcohol
- SCHEMBL2890956
- benzenemethanol,4-fluoro-3-(methoxymethoxy)-
- BJDMVCHNNQDRDL-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11FO3/c1-12-6-13-9-4-7(5-11)2-3-8(9)10/h2-4,11H,5-6H2,1H3
- InChI Key： BJDMVCHNNQDRDL-UHFFFAOYSA-N
- SMILES： FC1C=CC(CO)=CC=1OCOC
Computed Properties
- Exact Mass: 186.06923
- Monoisotopic Mass: 186.06922237g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 143
- 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: 1.1
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Benzenemethanol, 4-fluoro-3-(methoxymethoxy)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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