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85473-47-8 | bis(5-phenylpentyl) phosphorofluoridate
CAS No: 85473-47-8 Catalog No: AG004S4Z MDL No:
Product Description
Catalog Number:
AG004S4Z
Chemical Name:
bis(5-phenylpentyl) phosphorofluoridate
CAS Number:
85473-47-8
Molecular Formula:
C22H30FO3P
Molecular Weight:
392.4440
IUPAC Name:
5-[fluoro(5-phenylpentoxy)phosphoryl]oxypentylbenzene
InChI:
InChI=1S/C22H30FO3P/c23-27(24,25-19-11-3-9-17-21-13-5-1-6-14-21)26-20-12-4-10-18-22-15-7-2-8-16-22/h1-2,5-8,13-16H,3-4,9-12,17-20H2
InChI Key:
XMIUZFMJQFWXJI-UHFFFAOYSA-N
SMILES:
FP(=O)(OCCCCCc1ccccc1)OCCCCCc1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.192g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.451g/mol
Monoisotopic Mass:
392.192g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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