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72711-87-6 | Benzene, bis[(phenoxyphenoxy)phenoxy]-
CAS No: 72711-87-6 Catalog No: AG005FIF MDL No:
Product Description
Catalog Number:
AG005FIF
Chemical Name:
Benzene, bis[(phenoxyphenoxy)phenoxy]-
CAS Number:
72711-87-6
Molecular Formula:
C42H30O6
Molecular Weight:
630.6840
IUPAC Name:
1,2-bis[2-(2-phenoxyphenoxy)phenoxy]benzene
InChI:
InChI=1S/C42H30O6/c1-3-17-31(18-4-1)43-33-21-7-9-23-35(33)45-37-25-11-13-27-39(37)47-41-29-15-16-30-42(41)48-40-28-14-12-26-38(40)46-36-24-10-8-22-34(36)44-32-19-5-2-6-20-32/h1-30H
InChI Key:
SHYHYKAGHFPTIF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1
Properties
Complexity:
831
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.204g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
630.696g/mol
Monoisotopic Mass:
630.204g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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