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104426-56-4 | Benzenepentadecanoicacid, 4-(iodo-123I)-b,b-dimethyl- (9CI)
CAS No: 104426-56-4 Catalog No: AG007HTK MDL No:
Product Description
Catalog Number:
AG007HTK
Chemical Name:
Benzenepentadecanoicacid, 4-(iodo-123I)-b,b-dimethyl- (9CI)
CAS Number:
104426-56-4
Molecular Formula:
C23H37IO2
Molecular Weight:
472.4431
IUPAC Name:
15-(4-iodophenyl)-3,3-dimethylpentadecanoic acid
InChI:
InChI=1S/C23H37IO2/c1-23(2,19-22(25)26)18-12-10-8-6-4-3-5-7-9-11-13-20-14-16-21(24)17-15-20/h14-17H,3-13,18-19H2,1-2H3,(H,25,26)
InChI Key:
COJKCRQZSGYQAF-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CCCCCCCCCCCCC(CC(=O)O)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.451g/mol
Monoisotopic Mass:
472.184g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
Literature
| Title | Journal |
|---|---|
| Novel iodinated tracers, MIBG and BMIPP, for nuclear cardiology. | Journal of nuclear cardiology : official publication of the American Society of Nuclear Cardiology 20110201 |
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