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137522-85-1 | Acetonitrile, 2-[[4,6-bis[2-[(2-methoxyphenyl)methylene]hydrazinyl]-1,3,5-triazin-2-yl]oxy]-
CAS No: 137522-85-1 Catalog No: AG0013GV MDL No:
Product Description
Catalog Number:
AG0013GV
Chemical Name:
Acetonitrile, 2-[[4,6-bis[2-[(2-methoxyphenyl)methylene]hydrazinyl]-1,3,5-triazin-2-yl]oxy]-
CAS Number:
137522-85-1
Molecular Formula:
C21H20N8O3
Molecular Weight:
432.4353
IUPAC Name:
2-[[4,6-bis[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]oxy]acetonitrile
InChI:
InChI=1S/C21H20N8O3/c1-30-17-9-5-3-7-15(17)13-23-28-19-25-20(27-21(26-19)32-12-11-22)29-24-14-16-8-4-6-10-18(16)31-2/h3-10,13-14H,12H2,1-2H3,(H2,25,26,27,28,29)
InChI Key:
NIGWKPKEEYOXCX-UHFFFAOYSA-N
SMILES:
N#CCOc1nc(NN=Cc2ccccc2OC)nc(n1)NN=Cc1ccccc1OC
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.166g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.444g/mol
Monoisotopic Mass:
432.166g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.9
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