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Home > Indoles and Oxindole > 177763-13-2
177763-13-2 | 1H-Indole, 2,3-dihydro-2-(1-methylethenyl)-1-[(4-methylphenyl)sulfonyl]-
CAS No: 177763-13-2 Catalog No: AG0025JQ MDL No:
Product Description
Catalog Number:
AG0025JQ
Chemical Name:
1H-Indole, 2,3-dihydro-2-(1-methylethenyl)-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
177763-13-2
Molecular Formula:
C18H19NO2S
Molecular Weight:
313.4140
IUPAC Name:
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
InChI:
InChI=1S/C18H19NO2S/c1-13(2)18-12-15-6-4-5-7-17(15)19(18)22(20,21)16-10-8-14(3)9-11-16/h4-11,18H,1,12H2,2-3H3
InChI Key:
ABBYKKRAEOZZOP-UHFFFAOYSA-N
SMILES:
CC(=C)C1Cc2c(N1S(=O)(=O)c1ccc(cc1)C)cccc2
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.415g/mol
Monoisotopic Mass:
313.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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