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21004-63-7 | 3(2H)-Pyridazinone, 6-[1,1'-biphenyl]-4-yl-4-methyl-
CAS No: 21004-63-7 Catalog No: AG002KJU MDL No:
Product Description
Catalog Number:
AG002KJU
Chemical Name:
3(2H)-Pyridazinone, 6-[1,1'-biphenyl]-4-yl-4-methyl-
CAS Number:
21004-63-7
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
IUPAC Name:
5-methyl-3-(4-phenylphenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C17H14N2O/c1-12-11-16(18-19-17(12)20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)
InChI Key:
MHFXJRMMMSZPGF-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(cc1C)c1ccc(cc1)c1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.312g/mol
Monoisotopic Mass:
262.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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