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820969-34-4 | 1,3,5-Triazine, 2-[4-(1,1-dimethylethyl)phenyl]-4,6-bis(4-iodophenyl)-
CAS No: 820969-34-4 Catalog No: AG004WYZ MDL No:
Product Description
Catalog Number:
AG004WYZ
Chemical Name:
1,3,5-Triazine, 2-[4-(1,1-dimethylethyl)phenyl]-4,6-bis(4-iodophenyl)-
CAS Number:
820969-34-4
Molecular Formula:
C25H21I2N3
Molecular Weight:
617.2633
IUPAC Name:
2-(4-tert-butylphenyl)-4,6-bis(4-iodophenyl)-1,3,5-triazine
InChI:
InChI=1S/C25H21I2N3/c1-25(2,3)19-10-4-16(5-11-19)22-28-23(17-6-12-20(26)13-7-17)30-24(29-22)18-8-14-21(27)15-9-18/h4-15H,1-3H3
InChI Key:
CQLIZLNVCWZUIL-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)I)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
616.982g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
617.273g/mol
Monoisotopic Mass:
616.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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