Cas no 90019-36-6 (Methanone, (2-chlorophenyl)(2,3,5-trichlorophenyl)-)
90019-36-6 structure
Product Name:Methanone, (2-chlorophenyl)(2,3,5-trichlorophenyl)-
CAS No:90019-36-6
MF:C13H6Cl4O
MW:319.998139858246
CID:796248
PubChem ID:71430657
Update Time:2025-04-19
Methanone, (2-chlorophenyl)(2,3,5-trichlorophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, (2-chlorophenyl)(2,3,5-trichlorophenyl)-
- (2-chlorophenyl)-(2,3,5-trichlorophenyl)methanone
- DTXSID50849269
- 90019-36-6
- (2-Chlorophenyl)(2,3,5-trichlorophenyl)methanone
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- Inchi： 1S/C13H6Cl4O/c14-7-5-9(12(17)11(16)6-7)13(18)8-3-1-2-4-10(8)15/h1-6H
- InChI Key： FJZZZNBIHGFBAC-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(=CC=1C(C1C=CC=CC=1Cl)=O)Cl)Cl
Computed Properties
- Exact Mass: 319.914325g/mol
- Monoisotopic Mass: 317.917276g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 309
- 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: 5.8
- Topological Polar Surface Area: 17.1?2
Methanone, (2-chlorophenyl)(2,3,5-trichlorophenyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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