Cas no 62774-46-3 (Benzenesulfonyl chloride, 2,5-dibutoxy-)
62774-46-3 structure
Product Name:Benzenesulfonyl chloride, 2,5-dibutoxy-
CAS No:62774-46-3
MF:C14H21ClO4S
MW:320.832142591476
CID:431703
PubChem ID:12277281
Update Time:2025-04-19
Benzenesulfonyl chloride, 2,5-dibutoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 2,5-dibutoxy-
- 2,5-dibutoxybenzenesulfonyl chloride
- 62774-46-3
- DTXSID10483744
-
- Inchi： 1S/C14H21ClO4S/c1-3-5-9-18-12-7-8-13(19-10-6-4-2)14(11-12)20(15,16)17/h7-8,11H,3-6,9-10H2,1-2H3
- InChI Key： JLHKJGFZJHPBLE-UHFFFAOYSA-N
- SMILES： ClS(C1C=C(C=CC=1OCCCC)OCCCC)(=O)=O
Computed Properties
- Exact Mass: 320.08503
- Monoisotopic Mass: 320.0849080g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- 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: 4.4
- Topological Polar Surface Area: 61?2
Experimental Properties
- PSA: 52.6
Benzenesulfonyl chloride, 2,5-dibutoxy- Related Literature
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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