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85473-48-9 | bis(7-phenylheptyl) phosphorofluoridate
CAS No: 85473-48-9 Catalog No: AG004NAC MDL No:
Product Description
Catalog Number:
AG004NAC
Chemical Name:
bis(7-phenylheptyl) phosphorofluoridate
CAS Number:
85473-48-9
Molecular Formula:
C26H38FO3P
Molecular Weight:
448.5503
IUPAC Name:
7-[fluoro(7-phenylheptoxy)phosphoryl]oxyheptylbenzene
InChI:
InChI=1S/C26H38FO3P/c27-31(28,29-23-15-5-1-3-9-17-25-19-11-7-12-20-25)30-24-16-6-2-4-10-18-26-21-13-8-14-22-26/h7-8,11-14,19-22H,1-6,9-10,15-18,23-24H2
InChI Key:
IGYPWPVJJFMGNO-UHFFFAOYSA-N
SMILES:
FP(=O)(OCCCCCCCc1ccccc1)OCCCCCCCc1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.254g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.559g/mol
Monoisotopic Mass:
448.254g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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