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96853-47-3 | 9H-Carbazole, 9-hexadecyl-3,6-diiodo-
CAS No: 96853-47-3 Catalog No: AG00665W MDL No:
Product Description
Catalog Number:
AG00665W
Chemical Name:
9H-Carbazole, 9-hexadecyl-3,6-diiodo-
CAS Number:
96853-47-3
Molecular Formula:
C28H39I2N
Molecular Weight:
643.4249
IUPAC Name:
9-hexadecyl-3,6-diiodocarbazole
InChI:
InChI=1S/C28H39I2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-31-27-18-16-23(29)21-25(27)26-22-24(30)17-19-28(26)31/h16-19,21-22H,2-15,20H2,1H3
InChI Key:
MPPASPWSPOXXFQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCn1c2ccc(cc2c2c1ccc(c2)I)I
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.117g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
643.436g/mol
Monoisotopic Mass:
643.117g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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