Cas no 88519-67-9 (Benzenesulfonyl chloride, 2-cyano-5-ethoxy-)
88519-67-9 structure
Product Name:Benzenesulfonyl chloride, 2-cyano-5-ethoxy-
CAS No:88519-67-9
MF:C9H8ClNO3S
MW:245.682720184326
CID:629992
PubChem ID:71318479
Update Time:2025-04-19
Benzenesulfonyl chloride, 2-cyano-5-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 2-cyano-5-ethoxy-
- 2-cyano-5-ethoxybenzenesulfonyl chloride
- SCHEMBL10815132
- 2-Cyano-5-ethoxybenzene-1-sulfonyl chloride
- DTXSID10748587
- 88519-67-9
-
- Inchi： 1S/C9H8ClNO3S/c1-2-14-8-4-3-7(6-11)9(5-8)15(10,12)13/h3-5H,2H2,1H3
- InChI Key： DHZUWUXRHGHLSQ-UHFFFAOYSA-N
- SMILES： ClS(C1C(C#N)=CC=C(C=1)OCC)(=O)=O
Computed Properties
- Exact Mass: 244.9913420g/mol
- Monoisotopic Mass: 244.9913420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 353
- 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
- Topological Polar Surface Area: 75.5?2
Benzenesulfonyl chloride, 2-cyano-5-ethoxy- Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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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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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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