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87988-12-3 | Pyrido[2,3-d]pyridazine, 8-methoxy-5-phenyl-
CAS No: 87988-12-3 Catalog No: AG004HRT MDL No:
Product Description
Catalog Number:
AG004HRT
Chemical Name:
Pyrido[2,3-d]pyridazine, 8-methoxy-5-phenyl-
CAS Number:
87988-12-3
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
8-methoxy-5-phenylpyrido[2,3-d]pyridazine
InChI:
InChI=1S/C14H11N3O/c1-18-14-13-11(8-5-9-15-13)12(16-17-14)10-6-3-2-4-7-10/h2-9H,1H3
InChI Key:
UQXAIPPWLRCERZ-UHFFFAOYSA-N
SMILES:
COc1nnc(c2c1nccc2)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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