Cas no 52547-91-8 (Benzene, 5-fluoro-1,2,3-trimethyl-)
52547-91-8 structure
Product Name:Benzene, 5-fluoro-1,2,3-trimethyl-
CAS No:52547-91-8
MF:C9H11F
MW:138.182046175003
CID:359366
PubChem ID:12346650
Update Time:2025-04-19
Benzene, 5-fluoro-1,2,3-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 5-fluoro-1,2,3-trimethyl-
- 5-fluoro-1,2,3-trimethylbenzene
- 1-fluoro-3,4,5-trimethylbenzene
- 52547-91-8
- DTXSID80492808
- SCHEMBL12446940
-
- Inchi： 1S/C9H11F/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,1-3H3
- InChI Key： UXSXDXAQKQEYIJ-UHFFFAOYSA-N
- SMILES： FC1C=C(C)C(C)=C(C)C=1
Computed Properties
- Exact Mass: 138.08453
- Monoisotopic Mass: 138.084478513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 99.3
- 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: 3.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 5-fluoro-1,2,3-trimethyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
52547-91-8 (Benzene, 5-fluoro-1,2,3-trimethyl-) Related Products
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