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121627-17-6 | Dibenzo[d,f][1,3,2]dioxaphosphepin, 6,6'-[[3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis(oxy)]bis-
CAS No: 121627-17-6 Catalog No: AG0015FU MDL No:MFCD00233876
Product Description
Catalog Number:
AG0015FU
Chemical Name:
Dibenzo[d,f][1,3,2]dioxaphosphepin, 6,6'-[[3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis(oxy)]bis-
CAS Number:
121627-17-6
Molecular Formula:
C46H68O8P2
Molecular Weight:
810.9748
MDL Number:
MFCD00233876
IUPAC Name:
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
InChI:
InChI=1S/C46H44O8P2/c1-45(2,3)37-27-29(47-7)25-35(43(37)53-55-49-39-21-13-9-17-31(39)32-18-10-14-22-40(32)50-55)36-26-30(48-8)28-38(46(4,5)6)44(36)54-56-51-41-23-15-11-19-33(41)34-20-12-16-24-42(34)52-56/h9-28H,1-8H3
InChI Key:
WUFGFUAXCBPGOL-UHFFFAOYSA-N
SMILES:
COc1cc(c(c(c1)c1cc(OC)cc(c1Op1oc2ccccc2c2c(o1)cccc2)C(C)(C)C)Op1oc2ccccc2c2c(o1)cccc2)C(C)(C)C
EC Number:
700-178-6
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
786.251g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
786.798g/mol
Monoisotopic Mass:
786.251g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4
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