Home Nitriles 3-Formyl-1-tosyl-1H-indole-5-carbonitrile

3-Formyl-1-tosyl-1H-indole-5-carbonitrile

CAS No.:
468717-73-9
Catalog Number:
AG01DK0G
Molecular Formula:
C17H12N2O3S
Molecular Weight:
324.3538
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
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Product Description
Catalog Number:
AG01DK0G
Chemical Name:
3-Formyl-1-tosyl-1H-indole-5-carbonitrile
CAS Number:
468717-73-9
Molecular Formula:
C17H12N2O3S
Molecular Weight:
324.3538
MDL Number:
MFCD30606298
IUPAC Name:
3-formyl-1-(4-methylphenyl)sulfonylindole-5-carbonitrile
InChI:
InChI=1S/C17H12N2O3S/c1-12-2-5-15(6-3-12)23(21,22)19-10-14(11-20)16-8-13(9-18)4-7-17(16)19/h2-8,10-11H,1H3
InChI Key:
BFYKSJLAZUDDKP-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(C#N)cc2)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
595  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.057g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.354g/mol
Monoisotopic Mass:
324.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties