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266320-84-7 | 3(2H)-Pyridazinone, 5-bromo-2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-
CAS No: 266320-84-7 Catalog No: AG002TWC MDL No:
Product Description
Catalog Number:
AG002TWC
Chemical Name:
3(2H)-Pyridazinone, 5-bromo-2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-
CAS Number:
266320-84-7
Molecular Formula:
C15H15BrF2N2O3
Molecular Weight:
389.1920
IUPAC Name:
5-bromo-2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)pyridazin-3-one
InChI:
InChI=1S/C15H15BrF2N2O3/c1-15(2,22)5-6-23-13-10(16)8-19-20(14(13)21)9-3-4-11(17)12(18)7-9/h3-4,7-8,22H,5-6H2,1-2H3
InChI Key:
ISHPREYNSKNEND-UHFFFAOYSA-N
SMILES:
Brc1cnn(c(=O)c1OCCC(O)(C)C)c1ccc(c(c1)F)F
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.023g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.197g/mol
Monoisotopic Mass:
388.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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