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851608-71-4 | Benzene, 1,2,3-tris(dodecyloxy)-5-iodo-
CAS No: 851608-71-4 Catalog No: AG004WS6 MDL No:
Product Description
Catalog Number:
AG004WS6
Chemical Name:
Benzene, 1,2,3-tris(dodecyloxy)-5-iodo-
CAS Number:
851608-71-4
Molecular Formula:
C42H77IO3
Molecular Weight:
756.9635
IUPAC Name:
1,2,3-tridodecoxy-5-iodobenzene
InChI:
InChI=1S/C42H77IO3/c1-4-7-10-13-16-19-22-25-28-31-34-44-40-37-39(43)38-41(45-35-32-29-26-23-20-17-14-11-8-5-2)42(40)46-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3
InChI Key:
LIPWLUXXDAPQJG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)cc(cc1OCCCCCCCCCCCC)I
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
756.492g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
756.979g/mol
Monoisotopic Mass:
756.492g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.2
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