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Home > Imidazoles > 88710-48-9
88710-48-9 | 1H-Imidazo[4,5-d]pyridazine, 2-(2,5-dimethoxyphenyl)-, hydrochloride
CAS No: 88710-48-9 Catalog No: AG0046ZO MDL No:
Product Description
Catalog Number:
AG0046ZO
Chemical Name:
1H-Imidazo[4,5-d]pyridazine, 2-(2,5-dimethoxyphenyl)-, hydrochloride
CAS Number:
88710-48-9
Molecular Formula:
C13H13ClN4O2
Molecular Weight:
292.7209
IUPAC Name:
2-(2,5-dimethoxyphenyl)-1H-imidazo[4,5-d]pyridazine;hydrochloride
InChI:
InChI=1S/C13H12N4O2.ClH/c1-18-8-3-4-12(19-2)9(5-8)13-16-10-6-14-15-7-11(10)17-13;/h3-7H,1-2H3,(H,16,17);1H
InChI Key:
YKQKCDDLQGVDFX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1nc2c([nH]1)cnnc2)OC.Cl
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.723g/mol
Monoisotopic Mass:
292.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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