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121582-66-9 | 3-Pyridazinecarboxylic acid, 1-(2,4-dichlorophenyl)-1,6-dihydro-4-hydroxy-6-oxo-
CAS No: 121582-66-9 Catalog No: AG0015BQ MDL No:MFCD00141001
Product Description
Catalog Number:
AG0015BQ
Chemical Name:
3-Pyridazinecarboxylic acid, 1-(2,4-dichlorophenyl)-1,6-dihydro-4-hydroxy-6-oxo-
CAS Number:
121582-66-9
Molecular Formula:
C11H6Cl2N2O4
Molecular Weight:
301.0823
MDL Number:
MFCD00141001
IUPAC Name:
1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
InChI:
InChI=1S/C11H6Cl2N2O4/c12-5-1-2-7(6(13)3-5)15-9(17)4-8(16)10(14-15)11(18)19/h1-4,16H,(H,18,19)
InChI Key:
JXFMIANBTKVMRF-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)n1nc(C(=O)O)c(cc1=O)O
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.97g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.079g/mol
Monoisotopic Mass:
299.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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