Cas no 313681-72-0 ((3-Methyl-4-acetoxy)benzenesulfonyl chloride)
313681-72-0 structure
Product Name:(3-Methyl-4-acetoxy)benzenesulfonyl chloride
CAS No:313681-72-0
MF:C9H9ClO4S
MW:248.683360815048
CID:2137621
Update Time:2023-08-04
(3-Methyl-4-acetoxy)benzenesulfonyl chloride Chemical and Physical Properties
Names and Identifiers
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- (3-methyl-4-acetoxy)benzenesulfonyl chloride
- Acetic acid=4-(chlorosulfonyl)-2-methylphenyl ester
- (3-Methyl-4-acetoxy)benzenesulfonyl chloride
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- Inchi： 1S/C9H9ClO4S/c1-6-5-8(15(10,12)13)3-4-9(6)14-7(2)11/h3-5H,1-2H3
- InChI Key： GYLODVQPMUFYMQ-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC(=C(C)C=1)OC(C)=O)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 333
- XLogP3: 1.7
- Topological Polar Surface Area: 68.8
(3-Methyl-4-acetoxy)benzenesulfonyl chloride Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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