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126650-71-3 | 4H-[1,2,4]Triazino[3,4-a]phthalazine, 7-ethoxy-3-phenyl-
CAS No: 126650-71-3 Catalog No: AG000T28 MDL No:
Product Description
Catalog Number:
AG000T28
Chemical Name:
4H-[1,2,4]Triazino[3,4-a]phthalazine, 7-ethoxy-3-phenyl-
CAS Number:
126650-71-3
Molecular Formula:
C18H16N4O
Molecular Weight:
304.3458
IUPAC Name:
7-ethoxy-3-phenyl-4H-[1,2,4]triazino[3,4-a]phthalazine
InChI:
InChI=1S/C18H16N4O/c1-2-23-18-15-11-7-6-10-14(15)17-20-19-16(12-22(17)21-18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChI Key:
BDHRLHVJPLXGGW-UHFFFAOYSA-N
SMILES:
CCOc1nn2CC(=NN=c2c2c1cccc2)c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.353g/mol
Monoisotopic Mass:
304.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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