Cas no 151104-30-2 (methyl 2-chloro-5-(methylsulfonyl)benzoate)
151104-30-2 structure
Product Name:methyl 2-chloro-5-(methylsulfonyl)benzoate
CAS No:151104-30-2
MF:C9H9ClO4S
MW:248.683360815048
CID:2126556
PubChem ID:2517421
Update Time:2025-04-21
methyl 2-chloro-5-(methylsulfonyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-chloro-5-(methylsulfonyl)benzoate
- methyl 2-chloro-5-methanesulfonylbenzoate
- TWQIUEXLVURDJT-UHFFFAOYSA-N
- Z17766269
- 2-Chloro-5-methanesulfonyl-benzoic acid methyl ester
- DA-09985
- 151104-30-2
- AKOS033585897
- SCHEMBL2872060
-
- Inchi： 1S/C9H9ClO4S/c1-14-9(11)7-5-6(15(2,12)13)3-4-8(7)10/h3-5H,1-2H3
- InChI Key： TWQIUEXLVURDJT-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1C(=O)OC)S(C)(=O)=O
Computed Properties
- Exact Mass: 247.9910076Da
- Monoisotopic Mass: 247.9910076Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 333
- 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: 2.7
- Topological Polar Surface Area: 68.8?2
methyl 2-chloro-5-(methylsulfonyl)benzoate Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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