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Home > Indoles and Oxindole > 141544-81-2
141544-81-2 | 1H-Indole, 2-(1,1-dimethyl-2-propenyl)-1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 141544-81-2 Catalog No: AG006XKY MDL No:
Product Description
Catalog Number:
AG006XKY
Chemical Name:
1H-Indole, 2-(1,1-dimethyl-2-propenyl)-1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
141544-81-2
Molecular Formula:
C20H21NO3S
Molecular Weight:
355.4506
IUPAC Name:
1-(4-methoxyphenyl)sulfonyl-2-(2-methylbut-3-en-2-yl)indole
InChI:
InChI=1S/C20H21NO3S/c1-5-20(2,3)19-14-15-8-6-7-9-18(15)21(19)25(22,23)17-12-10-16(24-4)11-13-17/h5-14H,1H2,2-4H3
InChI Key:
ZITJWDICOPXYQO-UHFFFAOYSA-N
SMILES:
C=CC(c1cc2c(n1S(=O)(=O)c1ccc(cc1)OC)cccc2)(C)C
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.452g/mol
Monoisotopic Mass:
355.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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