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192071-13-9 | 1,1':3',1''-Terphenyl, 2'-iodo-2,2'',4,4'',5',6,6''-heptamethyl-
CAS No: 192071-13-9 Catalog No: AG002FM8 MDL No:
Product Description
Catalog Number:
AG002FM8
Chemical Name:
1,1':3',1''-Terphenyl, 2'-iodo-2,2'',4,4'',5',6,6''-heptamethyl-
CAS Number:
192071-13-9
Molecular Formula:
C25H27I
Molecular Weight:
454.3863
IUPAC Name:
2-iodo-5-methyl-1,3-bis(2,4,6-trimethylphenyl)benzene
InChI:
InChI=1S/C25H27I/c1-14-8-17(4)23(18(5)9-14)21-12-16(3)13-22(25(21)26)24-19(6)10-15(2)11-20(24)7/h8-13H,1-7H3
InChI Key:
KQYQLSXFFLOSBG-UHFFFAOYSA-N
SMILES:
Cc1cc(c2c(C)cc(cc2C)C)c(c(c1)c1c(C)cc(cc1C)C)I
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.395g/mol
Monoisotopic Mass:
454.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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