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Home > Imidazoles > 88710-39-8
88710-39-8 | 1H-Imidazo[4,5-d]pyridazine, 2-[2-methoxy-4-(2-propynyloxy)phenyl]-
CAS No: 88710-39-8 Catalog No: AG0045UP MDL No:
Product Description
Catalog Number:
AG0045UP
Chemical Name:
1H-Imidazo[4,5-d]pyridazine, 2-[2-methoxy-4-(2-propynyloxy)phenyl]-
CAS Number:
88710-39-8
Molecular Formula:
C15H12N4O2
Molecular Weight:
280.2814
IUPAC Name:
2-(2-methoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-d]pyridazine
InChI:
InChI=1S/C15H12N4O2/c1-3-6-21-10-4-5-11(14(7-10)20-2)15-18-12-8-16-17-9-13(12)19-15/h1,4-5,7-9H,6H2,2H3,(H,18,19)
InChI Key:
WKQHSCXASBGBIE-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(c(c1)OC)c1nc2c([nH]1)cnnc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.287g/mol
Monoisotopic Mass:
280.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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