Home Boronic Acids 1073354-51-4
1073354-51-4,MFCD08063118
Catalog No.:AA003I00
1073354-51-4 | 1-(Toluene-4-sulfonyl)-1H-indole-3-boronic acid pinacol ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$44.00   $31.00
- +
1g
95%
in stock  
$89.00   $62.00
- +
5g
95%
in stock  
$290.00   $203.00
- +
25g
95%
in stock  
$1,143.00   $800.00
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Technical Information
Catalog Number:
AA003I00
Chemical Name:
1-(Toluene-4-sulfonyl)-1H-indole-3-boronic acid pinacol ester
CAS Number:
1073354-51-4
Molecular Formula:
C21H24BNO4S
Molecular Weight:
397.2956
MDL Number:
MFCD08063118
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI:
InChI=1S/C21H24BNO4S/c1-15-10-12-16(13-11-15)28(24,25)23-14-18(17-8-6-7-9-19(17)23)22-26-20(2,3)21(4,5)27-22/h6-14H,1-5H3
InChI Key:
KRZHRMGPJBEROU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.152g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.296g/mol
Monoisotopic Mass:
397.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1073354-51-4 
1-(Toluene-4-sulfonyl)-1H-indole-3-boronic acid pinacol ester 
AKOS015950083 
ZINC169904141 
AB43457 
CS-W000426 
RTR-001743 
AK-96329 
AM802897 
OR361656 
PS-13022 
AX8240121 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole 
TR-001743 
J-001840 
(1-TOSYL-1H-INDOL-3-YL)BORONIC ACID PINACOL ESTER 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H -indole 
1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole 
1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole 
1-(4-Methylbenzene-1-sulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole 
A-4828 
N-(p-Toluenesulfonyl)indole-3-boronic acid pinacol ester 
SCHEMBL10182014 
CTK8B3188 
DTXSID20674661 
KS-000019EN 
ANW-41929 
MFCD08063118 
Literature
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