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878027-97-5 | Thiophene, 2,5-bis(4-iodo-2-methylphenyl)-
CAS No: 878027-97-5 Catalog No: AG004K4Z MDL No:
Product Description
Catalog Number:
AG004K4Z
Chemical Name:
Thiophene, 2,5-bis(4-iodo-2-methylphenyl)-
CAS Number:
878027-97-5
Molecular Formula:
C18H14I2S
Molecular Weight:
516.1777
IUPAC Name:
2,5-bis(4-iodo-2-methylphenyl)thiophene
InChI:
InChI=1S/C18H14I2S/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10H,1-2H3
InChI Key:
GBTIQTBNYBGTHU-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C)c1ccc(s1)c1ccc(cc1C)I
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.891g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.179g/mol
Monoisotopic Mass:
515.891g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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