Cas no 5510-12-3 (1-[(2-bromo-4-chlorophenyl)sulfonyl]-2-methyl-1H-imidazole)
5510-12-3 structure
Product Name:1-[(2-bromo-4-chlorophenyl)sulfonyl]-2-methyl-1H-imidazole
CAS No:5510-12-3
MF:C10H8BrClN2O2S
MW:335.604719161987
CID:1594788
PubChem ID:684915
Update Time:2025-04-21
1-[(2-bromo-4-chlorophenyl)sulfonyl]-2-methyl-1H-imidazole Chemical and Physical Properties
Names and Identifiers
-
- 1-[(2-bromo-4-chlorophenyl)sulfonyl]-2-methyl-1H-imidazole
- SR-01000401868-1
- 5510-12-3
- SR-01000401868
- AB00087098-01
- ZINC00051700
- DTXSID40350637
- CBMicro_021431
- Oprea1_484620
- 1-(2-bromo-4-chlorophenyl)sulfonyl-2-methylimidazole
- BIM-0021299.P001
- CCG-9638
-
- Inchi: 1S/C10H8BrClN2O2S/c1-7-13-4-5-14(7)17(15,16)10-3-2-8(12)6-9(10)11/h2-6H,1H3
- InChI Key: UPVFYZJRZOAVCR-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=CC=1S(N1C=CN=C1C)(=O)=O)Cl
Computed Properties
- Exact Mass: 333.91794
- Monoisotopic Mass: 333.917839
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 373
- 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: 60.3
- XLogP3: 3
Experimental Properties
- Density: 1.73
- Boiling Point: 484.7°C at 760 mmHg
- Flash Point: 247°C
- Refractive Index: 1.67
- PSA: 51.96
1-[(2-bromo-4-chlorophenyl)sulfonyl]-2-methyl-1H-imidazole Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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