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89593-78-2 | Benzoic acid, 4-(5-chloro-4-fluoro-6-oxo-1(6H)-pyridazinyl)-
CAS No: 89593-78-2 Catalog No: AG003YUN MDL No:
Product Description
Catalog Number:
AG003YUN
Chemical Name:
Benzoic acid, 4-(5-chloro-4-fluoro-6-oxo-1(6H)-pyridazinyl)-
CAS Number:
89593-78-2
Molecular Formula:
C11H6ClFN2O3
Molecular Weight:
268.6283
IUPAC Name:
4-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)benzoic acid
InChI:
InChI=1S/C11H6ClFN2O3/c12-9-8(13)5-14-15(10(9)16)7-3-1-6(2-4-7)11(17)18/h1-5H,(H,17,18)
InChI Key:
OFWDYBVMERHROD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)F
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.005g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.628g/mol
Monoisotopic Mass:
268.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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