Cas no 62122-13-8 (Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)-)
62122-13-8 structure
Product Name:Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)-
CAS No:62122-13-8
MF:C12H17ClO3S
MW:276.779581785202
CID:457300
PubChem ID:45156381
Update Time:2025-04-19
Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)-
- 4-hydroxy-3,5-di(propan-2-yl)benzenesulfonyl chloride
- 62122-13-8
- DTXSID90669509
- SCHEMBL11529037
- 4-Hydroxy-3,5-di(propan-2-yl)benzene-1-sulfonyl chloride
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- Inchi: 1S/C12H17ClO3S/c1-7(2)10-5-9(17(13,15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
- InChI Key: GDBUGDYIAMHLPL-UHFFFAOYSA-N
- SMILES: ClS(C1C=C(C(=C(C=1)C(C)C)O)C(C)C)(=O)=O
Computed Properties
- Exact Mass: 276.05881
- Monoisotopic Mass: 276.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 327
- 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: 62.8A^2
- XLogP3: 3.8
Experimental Properties
- PSA: 54.37
Benzenesulfonyl chloride, 4-hydroxy-3,5-bis(1-methylethyl)- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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