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264883-34-3

264883-34-3 | Benzene, 1-bromo-3,5-bis(3,5-diphenoxyphenoxy)-

CAS No: 264883-34-3 Catalog No: AG002TEP MDL No:

Product Description

Catalog Number:
AG002TEP
Chemical Name:
Benzene, 1-bromo-3,5-bis(3,5-diphenoxyphenoxy)-
CAS Number:
264883-34-3
Molecular Formula:
C42H29BrO6
Molecular Weight:
709.5801
IUPAC Name:
1-bromo-3,5-bis(3,5-diphenoxyphenoxy)benzene
InChI:
InChI=1S/C42H29BrO6/c43-30-21-35(48-41-26-37(44-31-13-5-1-6-14-31)24-38(27-41)45-32-15-7-2-8-16-32)23-36(22-30)49-42-28-39(46-33-17-9-3-10-18-33)25-40(29-42)47-34-19-11-4-12-20-34/h1-29H
InChI Key:
BKAIPZAKTMETMA-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)Oc1cc(cc(c1)Oc1ccccc1)Oc1ccccc1)Oc1cc(cc(c1)Oc1ccccc1)Oc1ccccc1

Properties

Complexity:
800  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
708.115g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
709.592g/mol
Monoisotopic Mass:
708.115g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8  

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