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119764-79-3 | Dodecanoic acid, 4-(iodo-125I)phenyl ester (9CI)
CAS No: 119764-79-3 Catalog No: AG000PMO MDL No:
Product Description
Catalog Number:
AG000PMO
Chemical Name:
Dodecanoic acid, 4-(iodo-125I)phenyl ester (9CI)
CAS Number:
119764-79-3
IUPAC Name:
2-(4-iodophenyl)dodecanoate
InChI:
InChI=1S/C18H27IO2/c1-2-3-4-5-6-7-8-9-10-17(18(20)21)15-11-13-16(19)14-12-15/h11-14,17H,2-10H2,1H3,(H,20,21)/p-1
InChI Key:
CHFZBORWSNHVCM-UHFFFAOYSA-M
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.098g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.308g/mol
Monoisotopic Mass:
401.098g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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