Cas no 62047-39-6 (Propanoyl chloride, 2-(2,3,5-trichlorophenoxy)-)
62047-39-6 structure
Product Name:Propanoyl chloride, 2-(2,3,5-trichlorophenoxy)-
CAS No:62047-39-6
MF:C9H6Cl4O2
MW:287.954739093781
CID:459791
PubChem ID:71390437
Update Time:2025-04-19
Propanoyl chloride, 2-(2,3,5-trichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoyl chloride, 2-(2,3,5-trichlorophenoxy)-
- 2-(2,3,5-trichlorophenoxy)propanoyl chloride
- DTXSID80812345
- 62047-39-6
-
- Inchi： 1S/C9H6Cl4O2/c1-4(9(13)14)15-7-3-5(10)2-6(11)8(7)12/h2-4H,1H3
- InChI Key： ZLEKIEPVSLUJKS-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(=CC=1OC(C(=O)Cl)C)Cl)Cl
Computed Properties
- Exact Mass: 285.91238
- Monoisotopic Mass: 285.912190g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 236
- 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: 4.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoyl chloride, 2-(2,3,5-trichlorophenoxy)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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