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922517-31-5 | 1,3-Benzenediol, 5-(2,7-diiodo-9H-carbazol-9-yl)-
CAS No: 922517-31-5 Catalog No: AG0060Q4 MDL No:
Product Description
Catalog Number:
AG0060Q4
Chemical Name:
1,3-Benzenediol, 5-(2,7-diiodo-9H-carbazol-9-yl)-
CAS Number:
922517-31-5
Molecular Formula:
C18H11I2NO2
Molecular Weight:
527.0944
IUPAC Name:
5-(2,7-diiodocarbazol-9-yl)benzene-1,3-diol
InChI:
InChI=1S/C18H11I2NO2/c19-10-1-3-15-16-4-2-11(20)6-18(16)21(17(15)5-10)12-7-13(22)9-14(23)8-12/h1-9,22-23H
InChI Key:
DCYNYMSQSKHTIK-UHFFFAOYSA-N
SMILES:
Oc1cc(O)cc(c1)n1c2cc(I)ccc2c2c1cc(I)cc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.888g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
527.1g/mol
Monoisotopic Mass:
526.888g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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