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130525-76-7 | Phosphoric acid, dibutyl 2-[[4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]oxy]ethyl ester
CAS No: 130525-76-7 Catalog No: AG000UKA MDL No:
Product Description
Catalog Number:
AG000UKA
Chemical Name:
Phosphoric acid, dibutyl 2-[[4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]oxy]ethyl ester
CAS Number:
130525-76-7
Molecular Formula:
C21H31ClN3O6P
Molecular Weight:
487.9141
IUPAC Name:
[2-butyl-2-[[4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]oxy]hexyl] phosphate
InChI:
InChI=1S/C21H31ClN3O6P/c1-5-7-12-21(13-8-6-2,14-29-32(26,27)28)31-20-24-18(22)23-19(25-20)30-17-15(3)10-9-11-16(17)4/h9-11H,5-8,12-14H2,1-4H3,(H2,26,27,28)/p-2
InChI Key:
GXFXPSOCAXRHKO-UHFFFAOYSA-L
SMILES:
CCCCOP(=O)(OCCCC)OCCOc1nc(Cl)nc(n1)Oc1c(C)cccc1C
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.148g/mol
Formal Charge:
-2
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.902g/mol
Monoisotopic Mass:
485.148g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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