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Home > Imidazoles > 88710-38-7
88710-38-7 | 1H-Imidazo[4,5-d]pyridazine, 2-(2,4-dimethoxyphenyl)-
CAS No: 88710-38-7 Catalog No: AG0046ZS MDL No:
Product Description
Catalog Number:
AG0046ZS
Chemical Name:
1H-Imidazo[4,5-d]pyridazine, 2-(2,4-dimethoxyphenyl)-
CAS Number:
88710-38-7
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
IUPAC Name:
2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-d]pyridazine
InChI:
InChI=1S/C13H12N4O2/c1-18-8-3-4-9(12(5-8)19-2)13-16-10-6-14-15-7-11(10)17-13/h3-7H,1-2H3,(H,16,17)
InChI Key:
YXVCUJJULNSREX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)c1nc2c([nH]1)cnnc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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