Cas no 1167056-80-5 (2-Isopropyl-6-fluoroanisole)
2-Isopropyl-6-fluoroanisole structure
Product Name:2-Isopropyl-6-fluoroanisole
CAS No:1167056-80-5
MF:C10H13FO
MW:168.208026647568
CID:4561425
PubChem ID:23403355
Update Time:2024-03-01
2-Isopropyl-6-fluoroanisole Chemical and Physical Properties
Names and Identifiers
-
- 2-Isopropyl-6-fluoroanisole
- Benzene, 1-fluoro-2-methoxy-3-(1-methylethyl)-
-
- Inchi： 1S/C10H13FO/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7H,1-3H3
- InChI Key： BBXZCGPULRBMHB-UHFFFAOYSA-N
- SMILES： C1(F)=CC=CC(C(C)C)=C1OC
Computed Properties
- Exact Mass: 168.095043196g/mol
- Monoisotopic Mass: 168.095043196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 136
- 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: 3.1
- Topological Polar Surface Area: 9.2?2
2-Isopropyl-6-fluoroanisole Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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