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89314-04-5 | 4(1H)-Pyridazinone, 6-amino-1-(4-bromophenyl)-3-methyl-5-phenyl-
CAS No: 89314-04-5 Catalog No: AG0040FC MDL No:
Product Description
Catalog Number:
AG0040FC
Chemical Name:
4(1H)-Pyridazinone, 6-amino-1-(4-bromophenyl)-3-methyl-5-phenyl-
CAS Number:
89314-04-5
Molecular Formula:
C17H14BrN3O
Molecular Weight:
356.2166
IUPAC Name:
6-amino-1-(4-bromophenyl)-3-methyl-5-phenylpyridazin-4-one
InChI:
InChI=1S/C17H14BrN3O/c1-11-16(22)15(12-5-3-2-4-6-12)17(19)21(20-11)14-9-7-13(18)8-10-14/h2-10H,19H2,1H3
InChI Key:
LZUTYQXBCBVXPV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nc(C)c(=O)c(c1N)c1ccccc1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.223g/mol
Monoisotopic Mass:
355.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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