Cas no 2548-44-9 (Benzoic acid,3-(phenylsulfonyl)-)
2548-44-9 structure
Product Name:Benzoic acid,3-(phenylsulfonyl)-
CAS No:2548-44-9
MF:C13H10O4S
MW:262.281102657318
CID:287859
PubChem ID:238599
Update Time:2025-04-19
Benzoic acid,3-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(phenylsulfonyl)-
- 3-(benzenesulfonyl)benzoic acid
- 6F8EVQ2464
- NSC-43055
- NSC43055
- 2548-44-9
- m-(Phenylsulfonyl)benzoic acid
- SCHEMBL1000532
- DTXSID70180161
- 3-(Phenylsulfonyl)benzoic acid
- UNII-6F8EVQ2464
- MAVYXMCSVGUDEZ-UHFFFAOYSA-N
- M-PHENYLSULFONYLBENZOIC ACID
- NSC 43055
- BENZOIC ACID, 3-(PHENYLSULFONYL)-
-
- Inchi： 1S/C13H10O4S/c14-13(15)10-5-4-8-12(9-10)18(16,17)11-6-2-1-3-7-11/h1-9H,(H,14,15)
- InChI Key： MAVYXMCSVGUDEZ-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1C=CC=C(C(=O)O)C=1)(=O)=O
Computed Properties
- Exact Mass: 262.03
- Monoisotopic Mass: 262.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 390
- 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: 2.2
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 71.44
Benzoic acid,3-(phenylsulfonyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
2548-44-9 (Benzoic acid,3-(phenylsulfonyl)-) Related Products
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- 90536-91-7(3,5-Bis(methylsulfonyl)benzoic Acid)
- 4052-30-6(4-(Methylsulfonyl)benzoic acid)
- 16734-98-8(4'-(Methylsulfonyl)1,1'-Biphenyl-4-Carboxylic Acid)
- 1194374-32-7(3'-Methanesulfonyl-biphenyl-3-carboxylic Acid)
- 893736-70-4(4'-Methanesulfonyl-biphenyl-3-carboxylic Acid)
- 2449-35-6(4,4'-Sulfonylbis-benzoic Acid)
- 16734-97-7(3'-(Methylsulfonyl)-[1,1'-biphenyl]-4-carboxylic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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