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CAS No.: | 881402-16-0 |
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Name: | 6-(TRIFLUOROMETHYL)PYRIDINE-2-BORONIC ACID PINACOL ESTER |
Molecular Structure: | |
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Formula: | C12H15BF3NO2 |
Molecular Weight: | 273.063 |
Synonyms: | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-trifluoromethylpyridine; |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 31.35000 |
LogP: | 2.39960 |
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The CAS registry number of Pyridine,2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)- is 881402-16-0. The IUPAC name is 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-trifluoromethylpyridine. In addition, the formula is C12H15BF3NO2 and the molecular weight is 273.05921.
Physical properties about 5-Tert-butoxycarbonylthiophene-2-boronic acid are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 1; (4)Exact Mass: 273.114794; (5)MonoIsotopic Mass: 273.114794; (6)Topological Polar Surface Area: 31.4; (7)Heavy Atom Count: 19; (8)Formal Charge: 0; (9)Complexity: 330; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)C(F)(F)F
(2)InChI: InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)9-7-5-6-8(17-9)12(14,15)16/h5-7H,1-4H3
(3)InChIKey: VYCMURZUDMLBCG-UHFFFAOYSA-N