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791637-58-6 | Benzene, 1,2-bis(decyloxy)-4-iodo-
CAS No: 791637-58-6 Catalog No: AG00537A MDL No:
Product Description
Catalog Number:
AG00537A
Chemical Name:
Benzene, 1,2-bis(decyloxy)-4-iodo-
CAS Number:
791637-58-6
Molecular Formula:
C26H45IO2
Molecular Weight:
516.5388
IUPAC Name:
1,2-didecoxy-4-iodobenzene
InChI:
InChI=1S/C26H45IO2/c1-3-5-7-9-11-13-15-17-21-28-25-20-19-24(27)23-26(25)29-22-18-16-14-12-10-8-6-4-2/h19-20,23H,3-18,21-22H2,1-2H3
InChI Key:
NDUQSVUKVOKUSC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(I)ccc1OCCCCCCCCCC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.246g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.548g/mol
Monoisotopic Mass:
516.246g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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