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113468-00-1 | Dodecanoic acid, 4-iodophenyl ester
CAS No: 113468-00-1 Catalog No: AG0008OY MDL No:
Product Description
Catalog Number:
AG0008OY
Chemical Name:
Dodecanoic acid, 4-iodophenyl ester
CAS Number:
113468-00-1
Molecular Formula:
C18H27IO2
Molecular Weight:
402.3102
IUPAC Name:
(4-iodophenyl) dodecanoate
InChI:
InChI=1S/C18H27IO2/c1-2-3-4-5-6-7-8-9-10-11-18(20)21-17-14-12-16(19)13-15-17/h12-15H,2-11H2,1H3
InChI Key:
RTVTZBRXNQFAQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Oc1ccc(cc1)I
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.316g/mol
Monoisotopic Mass:
402.106g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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