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129536-41-0 | Benzene, 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(bromomethyl)-
CAS No: 129536-41-0 Catalog No: AG000Z71 MDL No:MFCD02093449
Product Description
Catalog Number:
AG000Z71
Chemical Name:
Benzene, 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(bromomethyl)-
CAS Number:
129536-41-0
Molecular Formula:
C49H43BrO6
Molecular Weight:
807.7661
MDL Number:
MFCD02093449
IUPAC Name:
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(bromomethyl)benzene
InChI:
InChI=1S/C49H43BrO6/c50-30-41-21-44(55-35-42-23-46(51-31-37-13-5-1-6-14-37)28-47(24-42)52-32-38-15-7-2-8-16-38)27-45(22-41)56-36-43-25-48(53-33-39-17-9-3-10-18-39)29-49(26-43)54-34-40-19-11-4-12-20-40/h1-29H,30-36H2
InChI Key:
WEIQDYRDUFADRJ-UHFFFAOYSA-N
SMILES:
BrCc1cc(OCc2cc(OCc3ccccc3)cc(c2)OCc2ccccc2)cc(c1)OCc1cc(OCc2ccccc2)cc(c1)OCc1ccccc1
Properties
Complexity:
900
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
806.224g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
807.781g/mol
Monoisotopic Mass:
806.224g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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