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1246819-15-7 | 2-Methyl-4-[2-(4-octylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl-methyl Phosphate
CAS No: 1246819-15-7 Catalog No: AG009FN5 MDL No:
Product Description
Catalog Number:
AG009FN5
Chemical Name:
2-Methyl-4-[2-(4-octylphenyl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl-methyl Phosphate
CAS Number:
1246819-15-7
IUPAC Name:
[2-methyl-4-[2-(4-octylphenyl)ethyl]-5H-1,3-oxazol-4-yl]methyl phosphate
InChI:
InChI=1S/C21H34NO5P/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-26-18(2)22-21)17-27-28(23,24)25/h10-13H,3-9,14-17H2,1-2H3,(H2,23,24,25)/p-2
InChI Key:
GZBNXMXQBIIUTD-UHFFFAOYSA-L
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.202g/mol
Formal Charge:
-2
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.463g/mol
Monoisotopic Mass:
409.202g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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