Cas no 648436-65-1 (Benzoic acid, 4-[(4-methyl[1,1'-biphenyl]-2-yl)sulfonyl]-, methyl ester)
![Benzoic acid, 4-[(4-methyl[1,1'-biphenyl]-2-yl)sulfonyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/648500/648436-65-1x500.png)
648436-65-1 structure
Product Name:Benzoic acid, 4-[(4-methyl[1,1'-biphenyl]-2-yl)sulfonyl]-, methyl ester
CAS No:648436-65-1
MF:C21H18O4S
MW:366.430224895477
CID:414466
PubChem ID:11428565
Update Time:2025-04-19
Benzoic acid, 4-[(4-methyl[1,1'-biphenyl]-2-yl)sulfonyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(4-methyl[1,1'-biphenyl]-2-yl)sulfonyl]-, methyl ester
- methyl 4-(5-methyl-2-phenylphenyl)sulfonylbenzoate
- 648436-65-1
- DTXSID80465633
-
- Inchi： 1S/C21H18O4S/c1-15-8-13-19(16-6-4-3-5-7-16)20(14-15)26(23,24)18-11-9-17(10-12-18)21(22)25-2/h3-14H,1-2H3
- InChI Key： UACDSXISLZLPCE-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(=O)OC)=CC=1)(C1=CC(C)=CC=C1C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 366.09258022g/mol
- Monoisotopic Mass: 366.09258022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 565
- 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: 4.6
- Topological Polar Surface Area: 68.8?2
Benzoic acid, 4-[(4-methyl[1,1'-biphenyl]-2-yl)sulfonyl]-, methyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
648436-65-1 (Benzoic acid, 4-[(4-methyl[1,1'-biphenyl]-2-yl)sulfonyl]-, methyl ester) Related Products
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