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Home Halogens Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-

Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-

CAS No.:
1147-64-4
Catalog Number:
AG000F2C
Molecular Formula:
C11H6Cl2N2O3
Molecular Weight:
285.0829
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Product Description
Catalog Number:
AG000F2C
Chemical Name:
Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-
CAS Number:
1147-64-4
Molecular Formula:
C11H6Cl2N2O3
Molecular Weight:
285.0829
MDL Number:
MFCD01918613
IUPAC Name:
4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid
InChI:
InChI=1S/C11H6Cl2N2O3/c12-8-5-14-15(10(16)9(8)13)7-3-1-6(2-4-7)11(17)18/h1-5H,(H,17,18)
InChI Key:
PAXANYFYBRBZOE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.976g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.08g/mol
Monoisotopic Mass:
283.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ. PloS one 20120101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties