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Home > Indoles and Oxindole > 108665-95-8
108665-95-8 | 1H-Indole, 3-methyl-2-(phenylsulfonyl)-
CAS No: 108665-95-8 Catalog No: AG007U51 MDL No:
Product Description
Catalog Number:
AG007U51
Chemical Name:
1H-Indole, 3-methyl-2-(phenylsulfonyl)-
CAS Number:
108665-95-8
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
2-(benzenesulfonyl)-3-methyl-1H-indole
InChI:
InChI=1S/C15H13NO2S/c1-11-13-9-5-6-10-14(13)16-15(11)19(17,18)12-7-3-2-4-8-12/h2-10,16H,1H3
InChI Key:
JVPWRYGAIHPYCZ-UHFFFAOYSA-N
SMILES:
Cc1c2ccccc2[nH]c1S(=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:
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:
3.5
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