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Home Boronic acids N-(P-Toluenesulfonyl)indole-3-boronic acid

N-(P-Toluenesulfonyl)indole-3-boronic acid

CAS No.:
149108-61-2
Catalog Number:
AG001LEY
Molecular Formula:
C15H14BNO4S
Molecular Weight:
315.1520
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$169
- +
5g
97%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG001LEY
Chemical Name:
N-(P-Toluenesulfonyl)indole-3-boronic acid
CAS Number:
149108-61-2
Molecular Formula:
C15H14BNO4S
Molecular Weight:
315.1520
MDL Number:
MFCD03093101
IUPAC Name:
[1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid
InChI:
InChI=1S/C15H14BNO4S/c1-11-6-8-12(9-7-11)22(20,21)17-10-14(16(18)19)13-4-2-3-5-15(13)17/h2-10,18-19H,1H3
InChI Key:
XADMCCFJOAXDPE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cccc2)B(O)O
Properties
Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.074g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
315.15g/mol
Monoisotopic Mass:
315.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis of novel analogues of marine indole alkaloids: mono(indolyl)-4-trifluoromethylpyridines and bis(indolyl)-4-trifluoromethylpyridines as potential anticancer agents. Bioorganic & medicinal chemistry 20010701
Properties