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Home > Indoles and Oxindole > 144085-19-8
144085-19-8 | 1H-Indol-6-ol, 2,3-dihydro-4-iodo-3-(iodomethyl)-1-(2-propen-1-yl)-
CAS No: 144085-19-8 Catalog No: AG001IWQ MDL No:
Product Description
Catalog Number:
AG001IWQ
Chemical Name:
1H-Indol-6-ol, 2,3-dihydro-4-iodo-3-(iodomethyl)-1-(2-propen-1-yl)-
CAS Number:
144085-19-8
Molecular Formula:
C12H13I2NO
Molecular Weight:
441.0467
IUPAC Name:
4-iodo-3-(iodomethyl)-1-prop-2-enyl-2,3-dihydroindol-6-ol
InChI:
InChI=1S/C12H13I2NO/c1-2-3-15-7-8(6-13)12-10(14)4-9(16)5-11(12)15/h2,4-5,8,16H,1,3,6-7H2
InChI Key:
LFVZLGVEXPHPKI-UHFFFAOYSA-N
SMILES:
C=CCN1CC(c2c1cc(O)cc2I)CI
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.909g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.051g/mol
Monoisotopic Mass:
440.909g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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