Cas no 1706749-64-5 (5-Bromo-2-fluoro-4-methoxyaniline)
1706749-64-5 structure
Product Name:5-Bromo-2-fluoro-4-methoxyaniline
CAS No:1706749-64-5
MF:C7H7BrFNO
MW:220.038984537125
CID:4703897
Update Time:2023-08-15
5-Bromo-2-fluoro-4-methoxyaniline Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-2-fluoro-4-methoxyaniline
- 5-Bromo-2-fluoro-4-methoxyaniline
-
- Inchi： 1S/C7H7BrFNO/c1-11-7-3-5(9)6(10)2-4(7)8/h2-3H,10H2,1H3
- InChI Key： BWIFUSNDXLDUBC-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=CC=1OC)F)N
Computed Properties
- Exact Mass: 218.96950 g/mol
- Monoisotopic Mass: 218.96950 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- 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
- Molecular Weight: 220.04
- XLogP3: 2
- Topological Polar Surface Area: 35.2
5-Bromo-2-fluoro-4-methoxyaniline Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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