Home Boronic Acids 562098-07-1
562098-07-1,MFCD02179491
Catalog No.:AA003IQ5
562098-07-1 | 3-Acetoxymethylphenylboronic acid, pinacol ester
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1g
97%
in stock  
$172.00   $120.00
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5g
97%
in stock  
$762.00   $534.00
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Technical Information
Catalog Number:
AA003IQ5
Chemical Name:
3-Acetoxymethylphenylboronic acid, pinacol ester
CAS Number:
562098-07-1
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD02179491
IUPAC Name:
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
InChI:
InChI=1S/C15H21BO4/c1-11(17)18-10-12-7-6-8-13(9-12)16-19-14(2,3)15(4,5)20-16/h6-9H,10H2,1-5H3
InChI Key:
WLUHPTQLRDLBIF-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.153g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.139g/mol
Monoisotopic Mass:
276.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
562098-07-1 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate 
AX8280842 
A-3638 
CID5107253 
3-Acetoxymethylphenylboronic acid pinacol ester 
3-Acetoxymethylphenylboronic acid, pinacol ester 
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate 
AC1NO4ZY 
DTXSID00408406 
AKOS022172771 
ZINC169858471 
AB11255 
OR360610 
Literature
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