Home Boronic Acids 1016979-31-9
1016979-31-9,MFCD12546616
Catalog No.:AA000557
1016979-31-9 | 3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
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1g
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$172.00   $120.00
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5g
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$572.00   $400.00
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10g
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$953.00   $667.00
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Technical Information
Catalog Number:
AA000557
Chemical Name:
3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
CAS Number:
1016979-31-9
Molecular Formula:
C14H18BFO4
Molecular Weight:
280.0997
MDL Number:
MFCD12546616
IUPAC Name:
methyl 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,1-5H3
InChI Key:
GAMWSJVNEMEOFP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)F)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.128g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.102g/mol
Monoisotopic Mass:
280.128g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1016979-31-9 
Methyl 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
AKOS016004731 
ZINC169747314 
FCH2799548 
MB11999 
PC53153 
AS-55222 
DA-16342 
AX8235995 
FT-0711235 
X1494 
3-FLUORO-5-METHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER 
A-4121 
3-Fluoro-5-methoxycarbonylphenylboronic acid,pinacol ester 
3-Fluoro-5-methoxycarbonylpohenylboronic acid pinacol ester 
3-Fluoro-5-(methoxycarbonyl)benzeneboronic acid pinacol ester, 96% 
methyl 3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
BENZOIC ACID, 3-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER 
C14H18BFO4 
Methyl3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
3-Fluoro-5-methoxycarbonylphenylboronic acid pinacol ester 
SCHEMBL3622568 
CTK8C1265 
DTXSID80675351 
GAMWSJVNEMEOFP-UHFFFAOYSA-N 
ANW-66132 
MFCD12546616 
Literature
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