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Home > Indoles and Oxindole > 102210-79-7
102210-79-7 | 1H-Indole, 3-(3-methyl-2-buten-1-yl)-1-(phenylsulfonyl)-
CAS No: 102210-79-7 Catalog No: AG0006Y9 MDL No:
Product Description
Catalog Number:
AG0006Y9
Chemical Name:
1H-Indole, 3-(3-methyl-2-buten-1-yl)-1-(phenylsulfonyl)-
CAS Number:
102210-79-7
Molecular Formula:
C19H19NO2S
Molecular Weight:
325.4247
IUPAC Name:
1-(benzenesulfonyl)-3-(3-methylbut-2-enyl)indole
InChI:
InChI=1S/C19H19NO2S/c1-15(2)12-13-16-14-20(19-11-7-6-10-18(16)19)23(21,22)17-8-4-3-5-9-17/h3-12,14H,13H2,1-2H3
InChI Key:
AGBMIQGRSZDLGE-UHFFFAOYSA-N
SMILES:
CC(=CCc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.426g/mol
Monoisotopic Mass:
325.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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