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130525-75-6 | Phosphoric acid, dibutyl 2-[[4-chloro-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]oxy]ethyl ester
CAS No: 130525-75-6 Catalog No: AG000UKB MDL No:
Product Description
Catalog Number:
AG000UKB
Chemical Name:
Phosphoric acid, dibutyl 2-[[4-chloro-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]oxy]ethyl ester
CAS Number:
130525-75-6
Molecular Formula:
C22H33ClN3O6P
Molecular Weight:
501.9407
IUPAC Name:
[2-butyl-2-[[4-chloro-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]oxy]hexyl] phosphate
InChI:
InChI=1S/C22H33ClN3O6P/c1-6-8-10-22(11-9-7-2,14-30-33(27,28)29)32-21-25-19(23)24-20(26-21)31-18-16(4)12-15(3)13-17(18)5/h12-13H,6-11,14H2,1-5H3,(H2,27,28,29)/p-2
InChI Key:
IWUMOFKYTOOHPI-UHFFFAOYSA-L
SMILES:
CCCCOP(=O)(OCCCC)OCCOc1nc(Cl)nc(n1)Oc1c(C)cc(cc1C)C
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.164g/mol
Formal Charge:
-2
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
499.929g/mol
Monoisotopic Mass:
499.164g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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