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89314-18-1 | 4(1H)-Pyridazinone, 1-(4-bromophenyl)-6-hydroxy-3-methyl-5-phenyl-
CAS No: 89314-18-1 Catalog No: AG003YJ3 MDL No:
Product Description
Catalog Number:
AG003YJ3
Chemical Name:
4(1H)-Pyridazinone, 1-(4-bromophenyl)-6-hydroxy-3-methyl-5-phenyl-
CAS Number:
89314-18-1
Molecular Formula:
C17H13BrN2O2
Molecular Weight:
357.2013
IUPAC Name:
2-(4-bromophenyl)-5-hydroxy-6-methyl-4-phenylpyridazin-3-one
InChI:
InChI=1S/C17H13BrN2O2/c1-11-16(21)15(12-5-3-2-4-6-12)17(22)20(19-11)14-9-7-13(18)8-10-14/h2-10,21H,1H3
InChI Key:
FGDDDGBTMILECL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nc(C)c(=O)c(c1O)c1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.207g/mol
Monoisotopic Mass:
356.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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