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1018498-97-9 | 1-(4-Fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CAS No: 1018498-97-9 Catalog No: AG01FN2C MDL No:MFCD10008579
Product Description
Catalog Number:
AG01FN2C
Chemical Name:
1-(4-Fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CAS Number:
1018498-97-9
Molecular Formula:
C11H7FN2O4
Molecular Weight:
250.1827
MDL Number:
MFCD10008579
IUPAC Name:
1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-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/h1-5,15H,(H,17,18)
InChI Key:
DUQRMDICQHLSSL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1nc(C(=O)O)c(cc1=O)O
Properties
Complexity:
438
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:
2
Isotope Atom Count:
0
Molecular Weight:
250.185g/mol
Monoisotopic Mass:
250.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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