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917571-18-7 | Furan, 2,2'-[(4-iodophenyl)methylene]bis[5-(1,1-dimethylethyl)-
CAS No: 917571-18-7 Catalog No: AG006PO1 MDL No:
Product Description
Catalog Number:
AG006PO1
Chemical Name:
Furan, 2,2'-[(4-iodophenyl)methylene]bis[5-(1,1-dimethylethyl)-
CAS Number:
917571-18-7
Molecular Formula:
C23H27IO2
Molecular Weight:
462.3637
IUPAC Name:
2-tert-butyl-5-[(5-tert-butylfuran-2-yl)-(4-iodophenyl)methyl]furan
InChI:
InChI=1S/C23H27IO2/c1-22(2,3)19-13-11-17(25-19)21(15-7-9-16(24)10-8-15)18-12-14-20(26-18)23(4,5)6/h7-14,21H,1-6H3
InChI Key:
NUJPRQXBNNWQNJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(c1ccc(o1)C(C)(C)C)c1ccc(o1)C(C)(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.106g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.371g/mol
Monoisotopic Mass:
462.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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