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123715-46-8 | Thiophene, 2,5-bis(4-iodophenyl)-3,4-diphenyl-
CAS No: 123715-46-8 Catalog No: AG000KZN MDL No:
Product Description
Catalog Number:
AG000KZN
Chemical Name:
Thiophene, 2,5-bis(4-iodophenyl)-3,4-diphenyl-
CAS Number:
123715-46-8
Molecular Formula:
C28H18I2S
Molecular Weight:
640.3165
IUPAC Name:
2,5-bis(4-iodophenyl)-3,4-diphenylthiophene
InChI:
InChI=1S/C28H18I2S/c29-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)28(31-27)22-13-17-24(30)18-14-22/h1-18H
InChI Key:
NLDVXCGNYFVCSL-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1sc(c(c1c1ccccc1)c1ccccc1)c1ccc(cc1)I
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
639.922g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
640.321g/mol
Monoisotopic Mass:
639.922g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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