Home Boronic Acids 1005206-25-6
1005206-25-6,MFCD11042448
Catalog No.:AA000263
1005206-25-6 | 4-trifluoromethylthiophenylboronic acid pinacol ester
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250mg
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Technical Information
Catalog Number:
AA000263
Chemical Name:
4-trifluoromethylthiophenylboronic acid pinacol ester
CAS Number:
1005206-25-6
Molecular Formula:
C13H16BF3O2S
Molecular Weight:
304.1361
MDL Number:
MFCD11042448
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H16BF3O2S/c1-11(2)12(3,4)19-14(18-11)9-5-7-10(8-6-9)20-13(15,16)17/h5-8H,1-4H3
InChI Key:
RSMWGZJSATWLMH-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Computed Properties
 
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.092g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.134g/mol
Monoisotopic Mass:
304.092g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1005206-25-6 
4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)thio)phenyl)-1,3,2-dioxaborolane 
MFCD11042448 
AKOS016001176 
ZINC169889699 
MB09070 
RT-017607 
X1484 
A-4070 
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[(trifluoromethyl)thio]phenyl]- 
1-[(Trifluoromethyl)thio]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzene 
4,4,5,5-tetramethyl-2-(4-trifluoromethylsulfanyl-phenyl)-[1,3,2]dioxaborolane 
4-Trifluoromethylthiophenylboronic acid pinacol ester 
C13H16BF3O2S 
4,4,5,5-Tetramethyl-2-(4-(trifluoromethylthio)phenyl)-1,3,2-dioxaborolane 
Trifluoromethylthio-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzene 
4,4,5,5-Tetramethyl-2-{4-[(trifluoromethyl)sulfanyl]phenyl}-1,3,2-dioxaborolane 
SCHEMBL1231090 
CTK3J9037 
DTXSID00669752 
RSMWGZJSATWLMH-UHFFFAOYSA-N 
ANW-42834 
Literature
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