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85839-70-9 | Pyrido[3,2-c]pyridazine, 3-methyl-6-phenyl-
CAS No: 85839-70-9 Catalog No: AG004XEC MDL No:
Product Description
Catalog Number:
AG004XEC
Chemical Name:
Pyrido[3,2-c]pyridazine, 3-methyl-6-phenyl-
CAS Number:
85839-70-9
Molecular Formula:
C14H11N3
Molecular Weight:
221.2572
IUPAC Name:
3-methyl-6-phenylpyrido[3,2-c]pyridazine
InChI:
InChI=1S/C14H11N3/c1-10-9-14-13(17-16-10)8-7-12(15-14)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
HZEFNYDCMRFFEO-UHFFFAOYSA-N
SMILES:
Cc1nnc2c(c1)nc(cc2)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:
2.3
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