Home Boronic Acids 1008119-07-0
1008119-07-0,MFCD16996277
Catalog No.:AA0002UY
1008119-07-0 | 3,5-Difluoro-4-carboxyphenylboronic acid, pinacol ester
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250mg
97%
in stock  
$86.00   $60.00
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1g
97%
in stock  
$186.00   $130.00
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5g
97%
in stock  
$825.00   $578.00
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10g
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$1,508.00   $1,055.00
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Technical Information
Catalog Number:
AA0002UY
Chemical Name:
3,5-Difluoro-4-carboxyphenylboronic acid, pinacol ester
CAS Number:
1008119-07-0
Molecular Formula:
C13H15BF2O4
Molecular Weight:
284.0636
MDL Number:
MFCD16996277
IUPAC Name:
2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H15BF2O4/c1-12(2)13(3,4)20-14(19-12)7-5-8(15)10(11(17)18)9(16)6-7/h5-6H,1-4H3,(H,17,18)
InChI Key:
OGQFSRYMVQGPRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.066g/mol
Monoisotopic Mass:
284.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1008119-07-0 
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid 
MFCD16996277 
AKOS016005692 
ZINC169747127 
FCH2776369 
MB20378 
KS-00000P40 
BC001588 
DS-14765 
AX8217800 
ST2415932 
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoic acid 
TC-157575 
4CH-016082 
CS-0041162 
Y3511 
Q-7333 
3,5-Difluoro-4-carboxyphenylboronic acid, pinacol ester 
(3,5-difluoro-4-carboxyl)phenylboronic acid pinacol ester 
2,6-Difluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid 
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid 
AK-61379 
BENZOIC ACID, 2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)- 
SCHEMBL12205633 
C13H15BF2O4 
CTK8C2683 
DTXSID10726926 
ANW-68830 
Literature
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