Cas no 177211-27-7 (Ethanone,1-(2,4-difluoro-5-methylphenyl)-)
177211-27-7 structure
Product Name:Ethanone,1-(2,4-difluoro-5-methylphenyl)-
CAS No:177211-27-7
MF:C9H8F2O
MW:170.156029701233
CID:112558
PubChem ID:15335416
Update Time:2025-04-18
Ethanone,1-(2,4-difluoro-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2,4-difluoro-5-methylphenyl)-
- 1-(2,4-Difluoro-5-methyl-phenyl)-ethanone
- Ethanone, 1-(2,4-difluoro-5-methylphenyl)- (9CI)
- 177211-27-7
- 1-(2,4-difluoro-5-methylphenyl)ethanone
- 1-(2,4-difluoro-5-methylphenyl)ethan-1-one
- SCHEMBL8257879
- AKOS018289275
- DTXSID401281584
-
- Inchi： 1S/C9H8F2O/c1-5-3-7(6(2)12)9(11)4-8(5)10/h3-4H,1-2H3
- InChI Key： LUWOUTWVUKRWGY-UHFFFAOYSA-N
- SMILES： FC1=CC(=C(C)C=C1C(C)=O)F
Computed Properties
- Exact Mass: 170.05434
- Monoisotopic Mass: 170.05432120g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 2.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone,1-(2,4-difluoro-5-methylphenyl)- Related Literature
-
1. Synthesis of nonpolar peptide nucleic acid monomers containing fluoroaromaticsNorio Shibata,Biplab Kumar Das,Hiroshi Honjo,Yoshio Takeuchi J. Chem. Soc. Perkin Trans. 1 2001 1605
177211-27-7 (Ethanone,1-(2,4-difluoro-5-methylphenyl)-) Related Products
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