Cas no 115876-74-9 (Benzenesulfonyl chloride, 4-bromo-2,3,5,6-tetramethyl-)
115876-74-9 structure
Product Name:Benzenesulfonyl chloride, 4-bromo-2,3,5,6-tetramethyl-
CAS No:115876-74-9
MF:C10H12BrClO2S
MW:311.623080253601
CID:3644954
PubChem ID:13950732
Update Time:2025-04-22
Benzenesulfonyl chloride, 4-bromo-2,3,5,6-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 4-bromo-2,3,5,6-tetramethyl-
- 115876-74-9
- AKOS000132605
- DTXSID501225719
- 4-BROMO-2,3,5,6-TETRAMETHYLBENZENESULFONYL CHLORIDE
- SCHEMBL24812537
-
- Inchi： 1S/C10H12BrClO2S/c1-5-7(3)10(15(12,13)14)8(4)6(2)9(5)11/h1-4H3
- InChI Key： XBXOGPYMSRFYCK-UHFFFAOYSA-N
- SMILES： BrC1C(C)=C(C)C(=C(C)C=1C)S(=O)(=O)Cl
Computed Properties
- Exact Mass: 309.94299Da
- Monoisotopic Mass: 309.94299Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 309
- 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: 4.1
- Topological Polar Surface Area: 42.5?2
Benzenesulfonyl chloride, 4-bromo-2,3,5,6-tetramethyl- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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