Cas no 62579-69-5 ([1,1'-Biphenyl]-4-amine, 3-bromo-4'-(methylsulfonyl)-)
![[1,1'-Biphenyl]-4-amine, 3-bromo-4'-(methylsulfonyl)- structure](https://ossimg.kuujia.com/scimg/63000/62579-69-5x500.png)
62579-69-5 structure
Product Name:[1,1'-Biphenyl]-4-amine, 3-bromo-4'-(methylsulfonyl)-
CAS No:62579-69-5
MF:C13H12BrNO2S
MW:326.208881378174
CID:439447
PubChem ID:71385031
Update Time:2025-04-19
[1,1'-Biphenyl]-4-amine, 3-bromo-4'-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-amine, 3-bromo-4'-(methylsulfonyl)-
- 2-bromo-4-(4-methylsulfonylphenyl)aniline
- DTXSID60807274
- 3-Bromo-4'-(methanesulfonyl)[1,1'-biphenyl]-4-amine
- 62579-69-5
-
- Inchi： 1S/C13H12BrNO2S/c1-18(16,17)11-5-2-9(3-6-11)10-4-7-13(15)12(14)8-10/h2-8H,15H2,1H3
- InChI Key： JALCGTZDHSAKDF-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1)C1C=CC(=CC=1)S(C)(=O)=O)N
Computed Properties
- Exact Mass: 324.97726
- Monoisotopic Mass: 324.97721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 371
- 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: 2.8
- Topological Polar Surface Area: 68.5?2
Experimental Properties
- PSA: 60.16
[1,1'-Biphenyl]-4-amine, 3-bromo-4'-(methylsulfonyl)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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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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