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Home Carboxys 4-Pyridazinecarboxylic acid, 2,3-dihydro-3-oxo-5,6-diphenyl-

4-Pyridazinecarboxylic acid, 2,3-dihydro-3-oxo-5,6-diphenyl-

CAS No.:
82231-91-2
Catalog Number:
AG005H5U
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
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Product Description
Catalog Number:
AG005H5U
Chemical Name:
4-Pyridazinecarboxylic acid, 2,3-dihydro-3-oxo-5,6-diphenyl-
CAS Number:
82231-91-2
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
MDL Number:
MFCD06009525
IUPAC Name:
6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxylic acid
InChI:
InChI=1S/C17H12N2O3/c20-16-14(17(21)22)13(11-7-3-1-4-8-11)15(18-19-16)12-9-5-2-6-10-12/h1-10H,(H,19,20)(H,21,22)
InChI Key:
OFQZCIUBHVXWOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(=O)[nH]nc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.085g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
292.294g/mol
Monoisotopic Mass:
292.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties