Cas no 939761-04-3 (4'-CHLOROSULFONYL-BIPHENYL-4-CARBOXYLIC ACID METHYL ESTER)
939761-04-3 structure
Product Name:4'-CHLOROSULFONYL-BIPHENYL-4-CARBOXYLIC ACID METHYL ESTER
CAS No:939761-04-3
MF:C14H11ClO4S
MW:310.752742052078
CID:1000497
PubChem ID:16244683
Update Time:2025-04-20
4'-CHLOROSULFONYL-BIPHENYL-4-CARBOXYLIC ACID METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 4'-CHLOROSULFONYL-BIPHENYL-4-CARBOXYLIC ACID METHYL ESTER
- methyl 4-(4-chlorosulfonylphenyl)benzoate
- DTXSID10585797
- Methyl 4'-(chlorosulfonyl)[1,1'-biphenyl]-4-carboxylate
- 939761-04-3
-
- Inchi： 1S/C14H11ClO4S/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)20(15,17)18/h2-9H,1H3
- InChI Key： QDZFJHWZRKRETP-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC(=CC=1)C1C=CC(C(=O)OC)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 310.00700
- Monoisotopic Mass: 310.0066577g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 427
- 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: 3.7
- Topological Polar Surface Area: 68.8?2
Experimental Properties
- PSA: 68.82000
- LogP: 4.14850
4'-CHLOROSULFONYL-BIPHENYL-4-CARBOXYLIC ACID METHYL ESTER Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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