Home Boronic Acids 870778-98-6
870778-98-6,MFCD07784353
Catalog No.:AA003HYX
870778-98-6 | 3-(3'-(Trifluoromethyl)phenoxymethyl)phenylboronic acid
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1g
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$55.00   $38.00
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5g
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$229.00   $160.00
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Technical Information
Catalog Number:
AA003HYX
Chemical Name:
3-(3'-(Trifluoromethyl)phenoxymethyl)phenylboronic acid
CAS Number:
870778-98-6
Molecular Formula:
C14H12BF3O3
Molecular Weight:
296.0495
MDL Number:
MFCD07784353
IUPAC Name:
[3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O3/c16-14(17,18)11-4-2-6-13(8-11)21-9-10-3-1-5-12(7-10)15(19)20/h1-8,19-20H,9H2
InChI Key:
TVFNNGHGIHZSDV-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1cccc(c1)C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.083g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.052g/mol
Monoisotopic Mass:
296.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
870778-98-6 
(3-((3-(Trifluoromethyl)phenoxy)methyl)phenyl)boronic acid 
MFCD07784353 
AKOS010795803 
IMED824065967 
ZINC169877260 
RTR-027139 
BP-12147 
PC412557 
AX8261419 
X2566 
A-9113 
3-(3'-(TRIFLUOROMETHYL)PHENOXYMETHYL)PHENYLBORONIC ACID 
3-(3'-(TRIFLUOROMETHYL)PHENOXYMETHYL)PH& 
I04-6802 
3-[3 inverted exclamation marka-(Trifluoromethyl)phenoxymethyl]phenylboronic acid 
C14H12BF3O3 
3-(3'- PH& 
3-[3'-(Trifluoromethyl)phenoxymethyl]phenylboronic acid 
3-(3-(Trifluoromethyl)phenoxymethyl)phenylboronic acid 
(3-{[3-(Trifluoromethyl)phenoxy]methyl}phenyl)boronic acid 
SCHEMBL2556608 
CTK8B2508 
DTXSID10584644 
ANW-38481 
Literature
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