Cas no 436-57-7 (3,5-difluoro-2,4,6-trimethylbenzoic Acid)
436-57-7 structure
Product Name:3,5-difluoro-2,4,6-trimethylbenzoic Acid
CAS No:436-57-7
MF:C10H10F2O2
MW:200.182010173798
CID:1515678
PubChem ID:223119
Update Time:2025-04-21
3,5-difluoro-2,4,6-trimethylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3,5-difluoro-2,4,6-trimethylbenzoic Acid
- 3,5-difluoro-2,4,6-trimethyl-benzoic acid
- AG-J-00729
- AC1Q4N46
- 3,5-Difluor-2,4,6-trimethyl-benzoesaeure
- 3,5-bis(fluoranyl)-2,4,6-trimethyl-benzoic acid
- AR-1E9645
- AC1L5CBG
- NSC10361
- CTK4I7643
- 3,5-Difluor-2,4,6-trimethyl-benzoesaeure;3,5-difluoro-2,4,6-trimethyl-benzoic acid;
- A830083
- NSC-10361
- 436-57-7
- DTXSID80278861
-
- Inchi： 1S/C10H10F2O2/c1-4-7(10(13)14)5(2)9(12)6(3)8(4)11/h1-3H3,(H,13,14)
- InChI Key： JDYOFXDGEHRADL-UHFFFAOYSA-N
- SMILES： FC1C(C)=C(C(C)=C(C(=O)O)C=1C)F
Computed Properties
- Exact Mass: 200.06500
- Monoisotopic Mass: 200.06488588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 216
- 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: 2.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 2.58820
3,5-difluoro-2,4,6-trimethylbenzoic Acid Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
436-57-7 (3,5-difluoro-2,4,6-trimethylbenzoic Acid) Related Products
- 699-90-1(3-Fluoro-2-methylbenzoic acid)
- 652-03-9(Tetrafluorophthalic Acid)
- 26583-81-3(3-fluoro-2,4-dimethylbenzoic acid)
- 736990-88-8(3,5-Difluoro-4-formylbenzoic acid)
- 1003710-06-2(3,5-Difluoro-2-methylbenzoic acid)
- 90259-27-1(2-Fluoro-6-methylbenzoic acid)
- 157652-31-8(3,4-Difluoro-2-methylbenzoic acid)
- 1583-67-1(3-Fluorophthalic acid)
- 651-97-8(3,6-Difluorophthalic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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