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Home > Indoles and Oxindole > 599198-39-7
599198-39-7 | 5-[4-(Methylsulfonyl)phenyl]-1H-indole
CAS No: 599198-39-7 Catalog No: AG01EWLH MDL No:
Product Description
Catalog Number:
AG01EWLH
Chemical Name:
5-[4-(Methylsulfonyl)phenyl]-1H-indole
CAS Number:
599198-39-7
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
5-(4-methylsulfonylphenyl)-1H-indole
InChI:
InChI=1S/C15H13NO2S/c1-19(17,18)14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-16-15/h2-10,16H,1H3
InChI Key:
ZCQXAJZLLSVHNA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(cc1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
406
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:
1
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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