Cas no 21979-27-1 (3-bromo-1-methylquinolin-1-ium)
21979-27-1 structure
Product Name:3-bromo-1-methylquinolin-1-ium
CAS No:21979-27-1
MF:C10H9BrN
MW:223.089161634445
CID:2836169
PubChem ID:409147
Update Time:2025-04-21
3-bromo-1-methylquinolin-1-ium Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-1-methylquinolinium
- DTXSID90328301
- 21979-27-1
- Quinolinium, 3-bromo-1-methyl-
- AC-907/30063012
- 3-bromo-1-methylquinolin-1-ium
-
- Inchi： 1S/C10H9BrN/c1-12-7-9(11)6-8-4-2-3-5-10(8)12/h2-7H,1H3/q+1
- InChI Key： QXBOGYGAIILJGT-UHFFFAOYSA-N
- SMILES： BrC1=C[N+](C)=C2C=CC=CC2=C1
Computed Properties
- Exact Mass: 221.99184g/mol
- Monoisotopic Mass: 221.99184g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 2.5
- Topological Polar Surface Area: 3.9?2
3-bromo-1-methylquinolin-1-ium Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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