Cas no 946728-41-2 (2-(3-Fluorophenoxy)-5-methylaniline)
946728-41-2 structure
Product Name:2-(3-Fluorophenoxy)-5-methylaniline
CAS No:946728-41-2
MF:C13H12FNO
MW:217.238886833191
CID:3158697
PubChem ID:26189479
Update Time:2025-04-21
2-(3-Fluorophenoxy)-5-methylaniline Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-Fluorophenoxy)-5-methylaniline
- 946728-41-2
- SB79123
- AKOS009358736
-
- Inchi： 1S/C13H12FNO/c1-9-5-6-13(12(15)7-9)16-11-4-2-3-10(14)8-11/h2-8H,15H2,1H3
- InChI Key： OZJSFNUHYUYWHO-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)OC1C=CC(C)=CC=1N
Computed Properties
- Exact Mass: 217.090292168Da
- Monoisotopic Mass: 217.090292168Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 224
- 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: 3.4
- Topological Polar Surface Area: 35.3?2
2-(3-Fluorophenoxy)-5-methylaniline Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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