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143768-98-3 | Benzene, 1,1'-(1,4-butanediyl)bis[3-iodo-4-methoxy-
CAS No: 143768-98-3 Catalog No: AG001IBX MDL No:
Product Description
Catalog Number:
AG001IBX
Chemical Name:
Benzene, 1,1'-(1,4-butanediyl)bis[3-iodo-4-methoxy-
CAS Number:
143768-98-3
Molecular Formula:
C18H20I2O2
Molecular Weight:
522.1591
IUPAC Name:
2-iodo-4-[4-(3-iodo-4-methoxyphenyl)butyl]-1-methoxybenzene
InChI:
InChI=1S/C18H20I2O2/c1-21-17-9-7-13(11-15(17)19)5-3-4-6-14-8-10-18(22-2)16(20)12-14/h7-12H,3-6H2,1-2H3
InChI Key:
NMULDIKHACQMMX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1I)CCCCc1ccc(c(c1)I)OC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.955g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.165g/mol
Monoisotopic Mass:
521.955g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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