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138222-00-1 | Methanone, (4-hydroxy-3,5-diiodophenyl)-1H-indol-3-yl-
CAS No: 138222-00-1 Catalog No: AG0018BC MDL No:
Product Description
Catalog Number:
AG0018BC
Chemical Name:
Methanone, (4-hydroxy-3,5-diiodophenyl)-1H-indol-3-yl-
CAS Number:
138222-00-1
Molecular Formula:
C15H9I2NO2
Molecular Weight:
489.0464
IUPAC Name:
(4-hydroxy-3,5-diiodophenyl)-(1H-indol-3-yl)methanone
InChI:
InChI=1S/C15H9I2NO2/c16-11-5-8(6-12(17)15(11)20)14(19)10-7-18-13-4-2-1-3-9(10)13/h1-7,18,20H
InChI Key:
RTPAVBYYXYONLJ-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)c1cc(I)c(c(c1)I)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.872g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
489.051g/mol
Monoisotopic Mass:
488.872g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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