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Home > Indoles and Oxindole > 31271-86-0
31271-86-0 | 1H-Indole-4-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 31271-86-0 Catalog No: AG00I5VQ MDL No:
Product Description
Catalog Number:
AG00I5VQ
Chemical Name:
1H-Indole-4-carbonitrile, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
31271-86-0
IUPAC Name:
1-(4-methylphenyl)sulfonylindole-4-carbonitrile
InChI:
InChI=1S/C16H12N2O2S/c1-12-5-7-14(8-6-12)21(19,20)18-10-9-15-13(11-17)3-2-4-16(15)18/h2-10H,1H3
InChI Key:
OIWHUFPOHDKMFT-UHFFFAOYSA-N
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.344g/mol
Monoisotopic Mass:
296.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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