Cas no 54997-91-0 (Benzenesulfonyl chloride, 4-octyl-)
54997-91-0 structure
Product Name:Benzenesulfonyl chloride, 4-octyl-
CAS No:54997-91-0
MF:C14H21ClO2S
MW:288.833342313766
CID:353119
PubChem ID:11098208
Update Time:2025-04-19
Benzenesulfonyl chloride, 4-octyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 4-octyl-
- 4-octylbenzenesulfonyl chloride
- SCHEMBL282149
- DTXSID80455175
- XCVFPNHQWVSCQJ-UHFFFAOYSA-N
- p-octylbenzenesulfonyl chloride
- 4-n-octylbenzene-sulfonyl chloride
- 54997-91-0
-
- Inchi： 1S/C14H21ClO2S/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17/h9-12H,2-8H2,1H3
- InChI Key： XCVFPNHQWVSCQJ-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC(=CC=1)CCCCCCCC)(=O)=O
Computed Properties
- Exact Mass: 288.09523
- Monoisotopic Mass: 288.0950788g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 300
- 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: 6.1
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzenesulfonyl chloride, 4-octyl- Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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