Home Boronic Acids 1010836-19-7
1010836-19-7,MFCD08064045
Catalog No.:AA0003MD
1010836-19-7 | 2-Carboxythiophene-4-boronic acid, pinacol ester
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1g
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$215.00   $150.00
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5g
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$953.00   $667.00
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Technical Information
Catalog Number:
AA0003MD
Chemical Name:
2-Carboxythiophene-4-boronic acid, pinacol ester
CAS Number:
1010836-19-7
Molecular Formula:
C11H15BO4S
Molecular Weight:
254.1104
MDL Number:
MFCD08064045
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)7-5-8(9(13)14)17-6-7/h5-6H,1-4H3,(H,13,14)
InChI Key:
ZDNZEHFXGXIPLX-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.107g/mol
Monoisotopic Mass:
254.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1010836-19-7 
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid 
ZINC169746169 
AB43519 
FCH2816810 
RTR-000319 
OR360074 
PS-13016 
AX8227839 
TR-000319 
ST24023149 
5-Carboxythiophene-3-boronic acid pinacol ester 
2-CARBOXYTHIOPHENE-4-BORONIC ACID PINACOL ESTER 
A-4101 
J-000320 
2-Thiophenecarboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxylic acid methyl ester 
2-carboxythiophene-4-boronic acid, pinacol ester 
SCHEMBL1130443 
CTK8B4022 
DTXSID60585984 
ANW-43710 
MFCD08064045 
AKOS015950007 
Literature
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