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825633-25-8 | Ethanone, 1-[4-(7-phenylisoxazolo[3,4-d]pyridazin-4-yl)phenyl]-
CAS No: 825633-25-8 Catalog No: AG005DQ4 MDL No:
Product Description
Catalog Number:
AG005DQ4
Chemical Name:
Ethanone, 1-[4-(7-phenylisoxazolo[3,4-d]pyridazin-4-yl)phenyl]-
CAS Number:
825633-25-8
Molecular Formula:
C19H13N3O2
Molecular Weight:
315.3254
IUPAC Name:
1-[4-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)phenyl]ethanone
InChI:
InChI=1S/C19H13N3O2/c1-12(23)13-7-9-15(10-8-13)17-16-11-24-22-19(16)18(21-20-17)14-5-3-2-4-6-14/h2-11H,1H3
InChI Key:
HCLYRGLMALNOCV-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1nnc(c2c1con2)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.332g/mol
Monoisotopic Mass:
315.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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