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100781-89-3 | Phosphorous acid, bis([1,1'-biphenyl]-2-yl) octadecyl ester (9CI)
CAS No: 100781-89-3 Catalog No: AG0002V6 MDL No:
Product Description
Catalog Number:
AG0002V6
Chemical Name:
Phosphorous acid, bis([1,1'-biphenyl]-2-yl) octadecyl ester (9CI)
CAS Number:
100781-89-3
Molecular Formula:
C42H55O3P
Molecular Weight:
638.8581
IUPAC Name:
octadecyl bis(2-phenylphenyl) phosphite
InChI:
InChI=1S/C42H55O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-36-43-46(44-41-34-25-23-32-39(41)37-28-19-17-20-29-37)45-42-35-26-24-33-40(42)38-30-21-18-22-31-38/h17-26,28-35H,2-16,27,36H2,1H3
InChI Key:
YRESRCYMPRGTML-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOP(Oc1ccccc1c1ccccc1)Oc1ccccc1c1ccccc1
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
638.389g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
638.873g/mol
Monoisotopic Mass:
638.389g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.8
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