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91123-11-4 | Benzene, 2-ethoxy-4-iodo-1-(pentyloxy)-
CAS No: 91123-11-4 Catalog No: AG006EAO MDL No:
Product Description
Catalog Number:
AG006EAO
Chemical Name:
Benzene, 2-ethoxy-4-iodo-1-(pentyloxy)-
CAS Number:
91123-11-4
Molecular Formula:
C13H19IO2
Molecular Weight:
334.1932
IUPAC Name:
2-ethoxy-4-iodo-1-pentoxybenzene
InChI:
InChI=1S/C13H19IO2/c1-3-5-6-9-16-12-8-7-11(14)10-13(12)15-4-2/h7-8,10H,3-6,9H2,1-2H3
InChI Key:
UJPKLZGNQMJVOI-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1OCC)I
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.197g/mol
Monoisotopic Mass:
334.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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