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Home > Indoles and Oxindole > 144085-18-7
144085-18-7 | 1H-Indole, 2,3-dihydro-4-iodo-3-(iodomethyl)-6-methoxy-1-(2-propen-1-yl)-
CAS No: 144085-18-7 Catalog No: AG001IWR MDL No:
Product Description
Catalog Number:
AG001IWR
Chemical Name:
1H-Indole, 2,3-dihydro-4-iodo-3-(iodomethyl)-6-methoxy-1-(2-propen-1-yl)-
CAS Number:
144085-18-7
Molecular Formula:
C13H15I2NO
Molecular Weight:
455.0732
IUPAC Name:
4-iodo-3-(iodomethyl)-6-methoxy-1-prop-2-enyl-2,3-dihydroindole
InChI:
InChI=1S/C13H15I2NO/c1-3-4-16-8-9(7-14)13-11(15)5-10(17-2)6-12(13)16/h3,5-6,9H,1,4,7-8H2,2H3
InChI Key:
BYNCZFZHGSTXNF-UHFFFAOYSA-N
SMILES:
C=CCN1CC(c2c1cc(OC)cc2I)CI
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.924g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.078g/mol
Monoisotopic Mass:
454.924g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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