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67987-34-2 | Octanoic acid p-iodobenzyl ester
CAS No: 67987-34-2 Catalog No: AG00FZD3 MDL No:
Product Description
Catalog Number:
AG00FZD3
Chemical Name:
Octanoic acid p-iodobenzyl ester
CAS Number:
67987-34-2
IUPAC Name:
(4-iodophenyl)methyl octanoate
InChI:
InChI=1S/C15H21IO2/c1-2-3-4-5-6-7-15(17)18-12-13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3
InChI Key:
SVYNEJFXKXPMLE-UHFFFAOYSA-N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.235g/mol
Monoisotopic Mass:
360.059g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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