Cas no 648906-18-7 (Benzene, 5-bromo-1,3-dimethyl-2-(methylsulfonyl)-)
648906-18-7 structure
Product Name:Benzene, 5-bromo-1,3-dimethyl-2-(methylsulfonyl)-
CAS No:648906-18-7
MF:C9H11BrO2S
MW:263.151440858841
CID:412805
PubChem ID:68515942
Update Time:2025-04-19
Benzene, 5-bromo-1,3-dimethyl-2-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 5-bromo-1,3-dimethyl-2-(methylsulfonyl)-
- 5-bromo-1,3-dimethyl-2-methylsulfonylbenzene
- DTXSID00738492
- QVWJMUDKPYSAIC-UHFFFAOYSA-N
- 5-Bromo-2-methanesulfonyl-1,3-dimethyl-benzene
- 648906-18-7
- 5-Bromo-2-(methanesulfonyl)-1,3-dimethylbenzene
- SCHEMBL3111382
-
- Inchi： 1S/C9H11BrO2S/c1-6-4-8(10)5-7(2)9(6)13(3,11)12/h4-5H,1-3H3
- InChI Key： QVWJMUDKPYSAIC-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C(=C(C)C=1)S(C)(=O)=O
Computed Properties
- Exact Mass: 261.96633
- Monoisotopic Mass: 261.96631g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 256
- 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: 2.6
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzene, 5-bromo-1,3-dimethyl-2-(methylsulfonyl)- Related Literature
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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