Cas no 163496-42-2 (Pentanoic acid, 5-[(4-bromophenyl)sulfonyl]-, methyl ester)
![Pentanoic acid, 5-[(4-bromophenyl)sulfonyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/163500/163496-42-2x500.png)
163496-42-2 structure
Product Name:Pentanoic acid, 5-[(4-bromophenyl)sulfonyl]-, methyl ester
CAS No:163496-42-2
MF:C12H15BrO4S
MW:335.2141020298
CID:1343033
PubChem ID:86181065
Update Time:2025-04-20
Pentanoic acid, 5-[(4-bromophenyl)sulfonyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 5-[(4-bromophenyl)sulfonyl]-, methyl ester
- Methyl 5-[(4-bromophenyl)sulfonyl]pentanoate
- 163496-42-2
- DTXSID001258911
-
- Inchi： 1S/C12H15BrO4S/c1-17-12(14)4-2-3-9-18(15,16)11-7-5-10(13)6-8-11/h5-8H,2-4,9H2,1H3
- InChI Key： FYLRRIVMHDOMCR-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)S(CCCCC(=O)OC)(=O)=O
Computed Properties
- Exact Mass: 333.98745
- Monoisotopic Mass: 333.98744g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 353
- 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: 68.8?2
Experimental Properties
- PSA: 60.44
Pentanoic acid, 5-[(4-bromophenyl)sulfonyl]-, methyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
163496-42-2 (Pentanoic acid, 5-[(4-bromophenyl)sulfonyl]-, methyl ester) Related Products
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