Cas no 89538-96-5 (Benzoic acid, 4-(chlorosulfinyl)-, methyl ester)
89538-96-5 structure
Product Name:Benzoic acid, 4-(chlorosulfinyl)-, methyl ester
CAS No:89538-96-5
MF:C8H7ClO3S
MW:218.657380342484
CID:597374
PubChem ID:13698434
Update Time:2025-04-19
Benzoic acid, 4-(chlorosulfinyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(chlorosulfinyl)-, methyl ester
- methyl 4-chlorosulfinylbenzoate
- Methyl 4-(chlorosulfinyl)benzoate
- DTXSID80547009
- 89538-96-5
-
- Inchi： 1S/C8H7ClO3S/c1-12-8(10)6-2-4-7(5-3-6)13(9)11/h2-5H,1H3
- InChI Key： YYUFMHQDWAUDRJ-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC(C(=O)OC)=CC=1)=O
Computed Properties
- Exact Mass: 217.9804429g/mol
- Monoisotopic Mass: 217.9804429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 62.6?2
Benzoic acid, 4-(chlorosulfinyl)-, methyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
89538-96-5 (Benzoic acid, 4-(chlorosulfinyl)-, methyl ester) Related Products
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