4-(1-pyrenyl)butyl methylphosphonofluoridate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 125653
Molecular Formula

C21H20FO2P

SMILES

CP(=O)(OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)F

InChI

InChI=1S/C21H20FO2P/c1-25(22,23)24-14-3-2-5-15-8-9-18-11-10-16-6-4-7-17-12-13-19(15)21(18)20(16)17/h4,6-13H,2-3,5,14H2,1H3

synonyms
  • Pyrenebutyl-methylphosphonofluoridate
  • 67000-88-8
  • Methylphosphonofluoridic acid 4-(1-pyrenyl)butyl ester
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Properties
Property Value
MW 354.4 g/mol
HBD 0
HBA 3
Rotatable Bond Count 6
Exact Mass 354.11849504 g/mol
Monoisotopic Mass 354.11849504 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 510
xlogp 5.7
Topological Polar Surface Area 26.3