Home Boronic Acids 1021860-94-5
1021860-94-5,MFCD11616521
Catalog No.:AA0006QX
1021860-94-5 | 4-Methyl-2-(trifluoromethyl)phenylboronic acid
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100mg
98%
2 weeks  
$108.00   $76.00
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250mg
98%
2 weeks  
$141.00   $99.00
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1g
98%
2 weeks  
$288.00   $202.00
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5g
98%
2 weeks  
$830.00   $581.00
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Technical Information
Catalog Number:
AA0006QX
Chemical Name:
4-Methyl-2-(trifluoromethyl)phenylboronic acid
CAS Number:
1021860-94-5
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
MDL Number:
MFCD11616521
IUPAC Name:
[4-methyl-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2/c1-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
KDOJXIIVCMNOSQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(F)(F)F)B(O)O
Properties
Computed Properties
 
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.955g/mol
Monoisotopic Mass:
204.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1021860-94-5 
(4-Methyl-2-(trifluoromethyl)phenyl)boronic acid 
MFCD11616521 
AKOS016846039 
ZINC169747172 
FCH1405540 
DS-14994 
AX8168771 
ST2408039 
4-methyl-2-trifluoromethylphenylboronic acid 
4CH-016559 
CS-0028763 
4-Methyl-2-trifluoromethyl-phenylboronic acid 
(4-methyl-2-(trifluoromethyl)phenyl) boronic acid 
Boronic acid, B-[4-methyl-2-(trifluoromethyl)phenyl]- 
4-Methyl-2-(trifluoromethyl)phenylboronic acid 
[4-methyl-2-(trifluoromethyl)phenyl]boronic acid 
AK-56295 
SCHEMBL3205095 
KS-00000IGO 
DTXSID80609595 
KDOJXIIVCMNOSQ-UHFFFAOYSA-N 
Literature
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