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88820-44-4 | 7-Chloro-2H-pyrimido[1,2-b]pyridazin-2-one
CAS No: 88820-44-4 Catalog No: AG004AQ9 MDL No:
Product Description
Catalog Number:
AG004AQ9
Chemical Name:
7-Chloro-2H-pyrimido[1,2-b]pyridazin-2-one
CAS Number:
88820-44-4
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
IUPAC Name:
7-chloropyrimido[1,2-b]pyridazin-2-one
InChI:
InChI=1S/C7H4ClN3O/c8-5-1-2-6-9-7(12)3-4-11(6)10-5/h1-4H
InChI Key:
AMXYHYWWWQIEMQ-UHFFFAOYSA-N
SMILES:
Clc1ccc2n(n1)ccc(=O)n2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.579g/mol
Monoisotopic Mass:
181.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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