Cas no 62047-38-5 (Propanoyl chloride, 2-(3,4,5-trichlorophenoxy)-)
62047-38-5 structure
Product Name:Propanoyl chloride, 2-(3,4,5-trichlorophenoxy)-
CAS No:62047-38-5
MF:C9H6Cl4O2
MW:287.954739093781
CID:459792
PubChem ID:71390438
Update Time:2025-04-19
Propanoyl chloride, 2-(3,4,5-trichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoyl chloride, 2-(3,4,5-trichlorophenoxy)-
- 2-(3,4,5-trichlorophenoxy)propanoyl chloride
- 62047-38-5
- DTXSID40812346
-
- Inchi： 1S/C9H6Cl4O2/c1-4(9(13)14)15-5-2-6(10)8(12)7(11)3-5/h2-4H,1H3
- InChI Key： ANOBSQBJYWCESM-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=C(C=1)OC(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: 224
- 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-(3,4,5-trichlorophenoxy)- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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