Cas no 36417-26-2 ( )
structure
Product Name:
CAS No:36417-26-2
MF:C15H8F6O3
MW:350.212645530701
CID:882511
PubChem ID:276501
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-hydroxy-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]naphthalene-1,2-dione
- 4-hydroxy-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-yl]naphthalene-1,2-dione
- AC1L5JZ0
- AG-J-69531
- AR-1G2689
- CTK4H6442
- NSC124498
- NSC-124498
-
-
- Inchi： 1S/C15H8F6O3/c16-14(17,18)10(15(19,20)21)6-5-9-11(22)7-3-1-2-4-8(7)12(23)13(9)24/h1-4,6,22H,5H2
- InChI Key： YGAOWUBHILKRDA-UHFFFAOYSA-N
- SMILES： FC(/C(/C(F)(F)F)=C\CC1C(C(C2C=CC=CC=2C=1O)=O)=O)(F)F
Computed Properties
- Exact Mass: 350.03774
- Monoisotopic Mass: 350.03776309g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 596
- 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: 3.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 4.31880
Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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