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149702-94-3 | Methanone, (2-butyl-3-benzofuranyl)(3,5-diiodo-4-methoxyphenyl)-
CAS No: 149702-94-3 Catalog No: AG001LXH MDL No:
Product Description
Catalog Number:
AG001LXH
Chemical Name:
Methanone, (2-butyl-3-benzofuranyl)(3,5-diiodo-4-methoxyphenyl)-
CAS Number:
149702-94-3
Molecular Formula:
C20H18I2O3
Molecular Weight:
560.1641
IUPAC Name:
(2-butyl-1-benzofuran-3-yl)-(3,5-diiodo-4-methoxyphenyl)methanone
InChI:
InChI=1S/C20H18I2O3/c1-3-4-8-17-18(13-7-5-6-9-16(13)25-17)19(23)12-10-14(21)20(24-2)15(22)11-12/h5-7,9-11H,3-4,8H2,1-2H3
InChI Key:
WWZRQFAOSRQNCD-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OC)cccc2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
559.935g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.17g/mol
Monoisotopic Mass:
559.935g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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