Cas no 927829-35-4 (2,4-Pentanedione, 1-(4-fluorophenyl)-)
927829-35-4 structure
Product Name:2,4-Pentanedione, 1-(4-fluorophenyl)-
CAS No:927829-35-4
MF:C11H11FO2
MW:194.202246904373
CID:1975614
PubChem ID:57447744
Update Time:2025-04-21
2,4-Pentanedione, 1-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentanedione, 1-(4-fluorophenyl)-
- SCHEMBL2208662
- 927829-35-4
- 1-(4-fluorophenyl)pentane-2,4-dione
- MFCD16303851
- SY392306
-
- Inchi： 1S/C11H11FO2/c1-8(13)6-11(14)7-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3
- InChI Key： RWBLCCVJWXXBOW-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)CC(CC(C)=O)=O
Computed Properties
- Exact Mass: 194.07430775Da
- Monoisotopic Mass: 194.07430775Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 217
- 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: 1.5
- Topological Polar Surface Area: 34.1?2
2,4-Pentanedione, 1-(4-fluorophenyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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