Home Boronic Acids 1004775-33-0
1004775-33-0,MFCD13194426
Catalog No.:AA0001ZU
1004775-33-0 | 3-Methoxy-4-(trifluoromethyl)phenylboronic acid
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1g
98%
in stock  
$215.00   $150.00
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5g
98%
in stock  
$953.00   $667.00
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Technical Information
Catalog Number:
AA0001ZU
Chemical Name:
3-Methoxy-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1004775-33-0
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD13194426
IUPAC Name:
[3-methoxy-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-15-7-4-5(9(13)14)2-3-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
UHOZSZGYFBEVBA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(F)(F)F)B(O)O
Properties
Computed Properties
 
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1004775-33-0 
3-METHOXY-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID 
ZINC169906104 
TC-103038 
FT-0756642 
Z6281 
A-9173 
I04-2674 
Boronic acid, B-[3-methoxy-4-(trifluoromethyl)phenyl]- 
C8H8BF3O3 
(3-Methoxy-4-(trifluoromethyl)phenyl)boronicacid 
N/A 
(3-Methoxy-4-(trifluoromethyl)phenyl)boronic acid 
[3-methoxy-4-(trifluoromethyl)phenyl]boronic acid 
ACMC-2097qf 
CTK8A8975 
DTXSID70716601 
ANW-14293 
MFCD13194426 
AKOS015893144 
Literature
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