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Home > Indoles and Oxindole > 468717-94-4
468717-94-4 | 1H-INDOLE-5-CARBONITRILE, 3-ETHENYL-1-[(4-METHYLPHENYL)SULFONYL]-
CAS No: 468717-94-4 Catalog No: AG0071QV MDL No:MFCD20528052
Product Description
Catalog Number:
AG0071QV
Chemical Name:
1H-INDOLE-5-CARBONITRILE, 3-ETHENYL-1-[(4-METHYLPHENYL)SULFONYL]-
CAS Number:
468717-94-4
Molecular Formula:
C18H14N2O2S
Molecular Weight:
322.3810
MDL Number:
MFCD20528052
IUPAC Name:
3-ethenyl-1-(4-methylphenyl)sulfonylindole-5-carbonitrile
InChI:
InChI=1S/C18H14N2O2S/c1-3-15-12-20(18-9-6-14(11-19)10-17(15)18)23(21,22)16-7-4-13(2)5-8-16/h3-10,12H,1H2,2H3
InChI Key:
DRRDTIXSULOZQT-UHFFFAOYSA-N
SMILES:
C=Cc1cn(c2c1cc(C#N)cc2)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.382g/mol
Monoisotopic Mass:
322.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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