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Home > Indoles and Oxindole > 116325-12-3
116325-12-3 | 1H-Indole, 5-methyl-1-(phenylsulfonyl)-
CAS No: 116325-12-3 Catalog No: AG000C7K MDL No:
Product Description
Catalog Number:
AG000C7K
Chemical Name:
1H-Indole, 5-methyl-1-(phenylsulfonyl)-
CAS Number:
116325-12-3
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
1-(benzenesulfonyl)-5-methylindole
InChI:
InChI=1S/C15H13NO2S/c1-12-7-8-15-13(11-12)9-10-16(15)19(17,18)14-5-3-2-4-6-14/h2-11H,1H3
InChI Key:
WLDDDPBWIZVORD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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