5-bromo-3-methyl-1H-pyridazin-6-one


Chemical Name: 5-bromo-3-methyl-1H-pyridazin-6-one
CAS Number: 954240-46-1
Product Number: AG00IJ3S(AGN-PC-093R24)
Synonyms:
MDL No:
Molecular Formula: C5H5BrN2O
Molecular Weight: 189.0100

Identification/Properties


Computed Properties
Molecular Weight:
189.012g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
187.959g/mol
Monoisotopic Mass:
187.959g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
207
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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