Cas no 51762-82-4 (1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]-)
51762-82-4 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]-
CAS No:51762-82-4
MF:C14H9ClO6S
MW:340.735662221909
CID:361480
PubChem ID:20317767
Update Time:2025-04-19
1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]-
- 2-(4-chlorophenyl)sulfonylterephthalic acid
- 2-(4-Chlorobenzene-1-sulfonyl)benzene-1,4-dicarboxylic acid
- SCHEMBL11631101
- DTXSID60605136
- 51762-82-4
-
- Inchi: 1S/C14H9ClO6S/c15-9-2-4-10(5-3-9)22(20,21)12-7-8(13(16)17)1-6-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
- InChI Key: YOTMPGQLMIOCNL-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)S(C1C=C(C(=O)O)C=CC=1C(=O)O)(=O)=O
Computed Properties
- Exact Mass: 339.98087
- Monoisotopic Mass: 339.9808369g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 532
- 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: 2.4
- Topological Polar Surface Area: 117?2
Experimental Properties
- PSA: 108.74
1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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