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87988-07-6 | Pyrido[2,3-d]pyridazine, 8-methyl-5-phenyl-
CAS No: 87988-07-6 Catalog No: AG004HRU MDL No:
Product Description
Catalog Number:
AG004HRU
Chemical Name:
Pyrido[2,3-d]pyridazine, 8-methyl-5-phenyl-
CAS Number:
87988-07-6
Molecular Formula:
C14H11N3
Molecular Weight:
221.2572
IUPAC Name:
8-methyl-5-phenylpyrido[2,3-d]pyridazine
InChI:
InChI=1S/C14H11N3/c1-10-13-12(8-5-9-15-13)14(17-16-10)11-6-3-2-4-7-11/h2-9H,1H3
InChI Key:
RFGJHEZSKRRHCN-UHFFFAOYSA-N
SMILES:
Cc1nnc(c2c1nccc2)c1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.263g/mol
Monoisotopic Mass:
221.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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