Cas no 62774-45-2 (Benzenesulfonyl chloride, 2,5-dipropoxy-)
62774-45-2 structure
Product Name:Benzenesulfonyl chloride, 2,5-dipropoxy-
CAS No:62774-45-2
MF:C12H17ClO4S
MW:292.778981924057
CID:431704
PubChem ID:12277280
Update Time:2025-04-19
Benzenesulfonyl chloride, 2,5-dipropoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 2,5-dipropoxy-
- 2,5-dipropoxybenzenesulfonyl chloride
- DTXSID50483743
- 62774-45-2
-
- Inchi： 1S/C12H17ClO4S/c1-3-7-16-10-5-6-11(17-8-4-2)12(9-10)18(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3
- InChI Key： JNGSDPJLEJHGHU-UHFFFAOYSA-N
- SMILES： ClS(C1C=C(C=CC=1OCCC)OCCC)(=O)=O
Computed Properties
- Exact Mass: 292.05371
- Monoisotopic Mass: 292.0536079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 326
- 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: 3.7
- Topological Polar Surface Area: 61?2
Experimental Properties
- PSA: 52.6
Benzenesulfonyl chloride, 2,5-dipropoxy- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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