Home Halogens 5-amino-4-bromo-2,3-dihydropyridazin-3-one

5-amino-4-bromo-2,3-dihydropyridazin-3-one

CAS No.:
57041-96-0
Catalog Number:
AG01EA7C
Molecular Formula:
C4H4BrN3O
Molecular Weight:
189.9981
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Product Description
Catalog Number:
AG01EA7C
Chemical Name:
5-amino-4-bromo-2,3-dihydropyridazin-3-one
CAS Number:
57041-96-0
Molecular Formula:
C4H4BrN3O
Molecular Weight:
189.9981
MDL Number:
MFCD26132196
IUPAC Name:
4-amino-5-bromo-1H-pyridazin-6-one
InChI:
InChI=1S/C4H4BrN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)
InChI Key:
IEZAPLZRJOUNFM-UHFFFAOYSA-N
SMILES:
Nc1cn[nH]c(=O)c1Br
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.954g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190g/mol
Monoisotopic Mass:
188.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties