Cas no 918350-17-1 (Benzene, 1-bromo-3-methyl-5-(methylsulfonyl)-)
918350-17-1 structure
Product Name:Benzene, 1-bromo-3-methyl-5-(methylsulfonyl)-
CAS No:918350-17-1
MF:C8H9BrO2S
MW:249.124860525131
CID:777011
PubChem ID:59251298
Update Time:2025-04-19
Benzene, 1-bromo-3-methyl-5-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-3-methyl-5-(methylsulfonyl)-
- 1-bromo-3-methyl-5-(methylsulfonyl)Benzene
- 1-bromo-3-methyl-5-methylsulfonylbenzene
- FT-0748073
- SCHEMBL2465936
- DTXSID60731343
- VLFFSTHAVZZFJO-UHFFFAOYSA-N
- 918350-17-1
- 1-bromo-3-methanesulfonyl-5-methyl-benzene
- 1-Bromo-3-(methanesulfonyl)-5-methylbenzene
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- Inchi: 1S/C8H9BrO2S/c1-6-3-7(9)5-8(4-6)12(2,10)11/h3-5H,1-2H3
- InChI Key: VLFFSTHAVZZFJO-UHFFFAOYSA-N
- SMILES: BrC1C=C(C)C=C(C=1)S(C)(=O)=O
Computed Properties
- Exact Mass: 247.95066g/mol
- Monoisotopic Mass: 247.95066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 242
- 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: 2.2
- Topological Polar Surface Area: 42.5?2
Benzene, 1-bromo-3-methyl-5-(methylsulfonyl)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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