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299166-47-5 | 4H-Imidazo[4,5-d]pyridazin-4-one, 1,5-dihydro-7-phenyl-
CAS No: 299166-47-5 Catalog No: AG007K0M MDL No:
Product Description
Catalog Number:
AG007K0M
Chemical Name:
4H-Imidazo[4,5-d]pyridazin-4-one, 1,5-dihydro-7-phenyl-
CAS Number:
299166-47-5
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
IUPAC Name:
4-phenyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
InChI:
InChI=1S/C11H8N4O/c16-11-10-9(12-6-13-10)8(14-15-11)7-4-2-1-3-5-7/h1-6H,(H,12,13)(H,15,16)
InChI Key:
XPFWONHBZAZAQW-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1nc[nH]2)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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