Cas no 873662-28-3 (1,2-Benzenediamine, 5-fluoro-3-methoxy-)
873662-28-3 structure
Product Name:1,2-Benzenediamine, 5-fluoro-3-methoxy-
CAS No:873662-28-3
MF:C7H9FN2O
MW:156.157564878464
CID:709556
PubChem ID:45122088
Update Time:2025-04-19
1,2-Benzenediamine, 5-fluoro-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, 5-fluoro-3-methoxy-
- 5-fluoro-3-methoxybenzene-1,2-diamine
- 1,2-benzenediamine,5-fluoro-3-methoxy-
- 873662-28-3
- SB76022
- SCHEMBL16052950
-
- Inchi： 1S/C7H9FN2O/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,9-10H2,1H3
- InChI Key： SKAOOTBGWUCPHU-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=C(C=1)OC)N)N
Computed Properties
- Exact Mass: 156.07
- Monoisotopic Mass: 156.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 134
- 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
- Topological Polar Surface Area: 61.3A^2
- XLogP3: 0.6
1,2-Benzenediamine, 5-fluoro-3-methoxy- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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