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922517-33-7 | 9H-Carbazole, 9-[3,5-bis[(2-ethylhexyl)oxy]phenyl]-2,7-diiodo-
CAS No: 922517-33-7 Catalog No: AG0060Q3 MDL No:
Product Description
Catalog Number:
AG0060Q3
Chemical Name:
9H-Carbazole, 9-[3,5-bis[(2-ethylhexyl)oxy]phenyl]-2,7-diiodo-
CAS Number:
922517-33-7
Molecular Formula:
C34H43I2NO2
Molecular Weight:
751.5197
IUPAC Name:
9-[3,5-bis(2-ethylhexoxy)phenyl]-2,7-diiodocarbazole
InChI:
InChI=1S/C34H43I2NO2/c1-5-9-11-24(7-3)22-38-29-19-28(20-30(21-29)39-23-25(8-4)12-10-6-2)37-33-17-26(35)13-15-31(33)32-16-14-27(36)18-34(32)37/h13-21,24-25H,5-12,22-23H2,1-4H3
InChI Key:
PBKKTERDHORAMM-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cc(OCC(CCCC)CC)cc(c1)n1c2cc(I)ccc2c2c1cc(I)cc2)CC
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
751.138g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
751.532g/mol
Monoisotopic Mass:
751.138g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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