Cas no 224434-11-1 (1,3-Benzenediol,4,5,6-trifluoro-)
224434-11-1 structure
Product Name:1,3-Benzenediol,4,5,6-trifluoro-
CAS No:224434-11-1
MF:C6H3F3O2
MW:164.082032442093
CID:244695
PubChem ID:15852925
Update Time:2025-04-19
1,3-Benzenediol,4,5,6-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,4,5,6-trifluoro-
- 1,3-Benzenediol,4,5,6-trifluoro-(9CI)
- 4,5,6-trifluorobenzene-1,3-diol
- DTXSID50578885
- SCHEMBL516276
- 4, 5, 6-trifluorobenzene-1, 3-diol
- 224434-11-1
-
- Inchi： 1S/C6H3F3O2/c7-4-2(10)1-3(11)5(8)6(4)9/h1,10-11H
- InChI Key： OOFHBQLZJOOWCC-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=CC=1O)O)F)F
Computed Properties
- Exact Mass: 164.00849
- Monoisotopic Mass: 164.00851382g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 130
- 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: 1.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,3-Benzenediol,4,5,6-trifluoro- Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
224434-11-1 (1,3-Benzenediol,4,5,6-trifluoro-) Related Products
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- 771-63-1(Tetrafluorohydroquinone)
- 2268-16-8(2,4,5-Trifluorophenol)
- 2822-41-5(2,3,4-Trifluorophenol)
- 113798-74-6(2,3,6-Trifluorophenol)
- 42289-34-9(Potassium 2,3,5,6-tetrafluorophenolate)
- 771-61-9(Pentafluorophenol)
- 124728-90-1(2,3-DIFLUOROHYDROQUINONE)
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