Home Boronic Acids 849062-06-2
849062-06-2,MFCD07369747
Catalog No.:AA003HW5
849062-06-2 | 3-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid
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250mg
98%
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$69.00   $48.00
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1g
98%
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$200.00   $140.00
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Technical Information
Catalog Number:
AA003HW5
Chemical Name:
3-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid
CAS Number:
849062-06-2
Molecular Formula:
C14H12BF3O4
Molecular Weight:
312.0489
MDL Number:
MFCD07369747
IUPAC Name:
[3-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O4/c16-14(17,18)22-13-6-4-12(5-7-13)21-9-10-2-1-3-11(8-10)15(19)20/h1-8,19-20H,9H2
InChI Key:
ORLMAWFFRKHIFR-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1ccc(cc1)OC(F)(F)F)O
Properties
Computed Properties
 
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.078g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.051g/mol
Monoisotopic Mass:
312.078g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
849062-06-2 
3-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid 
MFCD07369747 
AKOS015893650 
ZINC169877265 
AB32206 
RTR-026297 
PC412547 
X2323 
B-4262 
3-((4-(TRIFLUOROMETHOXY)PHENOXY)METHYL)& 
I04-6801 
(3-((4-(TRIFLUOROMETHOXY)PHENOXY)METHYL)PHENYL)BORONIC ACID 
3-[[4 inverted exclamation marka-(Trifluoromethoxy)phenoxy]methyl]phenylboronic acid 
C14H12BF3O4 
3-[[4'-(Trifluoromethoxy)phenoxy]methyl]phenylboronic acid 
3-((4-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid 
(3-{[4-(Trifluoromethoxy)phenoxy]methyl}phenyl)boronic acid 
SCHEMBL1526395 
CTK8B2419 
DTXSID00584613 
ANW-37892 
Literature
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