Home Carboxys 1-(4-fluorophenyl)-4,6-dioxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

1-(4-fluorophenyl)-4,6-dioxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

CAS No.:
1803600-92-1
Catalog Number:
AG01BH41
Molecular Formula:
C11H7FN2O4
Molecular Weight:
250.1827
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Product Description
Catalog Number:
AG01BH41
Chemical Name:
1-(4-fluorophenyl)-4,6-dioxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CAS Number:
1803600-92-1
Molecular Formula:
C11H7FN2O4
Molecular Weight:
250.1827
MDL Number:
MFCD28145246
IUPAC Name:
1-(4-fluorophenyl)-4,6-dioxopyridazine-3-carboxylic acid
InChI:
InChI=1S/C11H7FN2O4/c12-6-1-3-7(4-2-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-4H,5H2,(H,17,18)
InChI Key:
HTYMKHSFIQOQQY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1N=C(C(=O)O)C(=O)CC1=O
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.039g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.185g/mol
Monoisotopic Mass:
250.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties